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Database: PDB
Entry: 4LCK
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Original site: 4LCK 
HEADER    RIBOSOMAL PROTEIN/RNA                   21-JUN-13   4LCK              
TITLE     CO-CRYSTAL STRUCTURE OF A T-BOX RIBOSWITCH STEM I DOMAIN IN COMPLEX   
TITLE    2 WITH ITS COGNATE TRNA                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RIBOSOMAL PROTEIN YBXF;                                    
COMPND   3 CHAIN: A, D;                                                         
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: TRNA-GLY;                                                  
COMPND   7 CHAIN: B, E;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: T-BOX RIBOSWITCH STEM I;                                   
COMPND  11 CHAIN: C, F;                                                         
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS;              
SOURCE   3 ORGANISM_TAXID: 224308;                                              
SOURCE   4 STRAIN: 168;                                                         
SOURCE   5 GENE: RPLGB, YBAB, YBXF, BSU01090;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: OCEANOBACILLUS IHEYENSIS;                       
SOURCE  11 ORGANISM_TAXID: 182710;                                              
SOURCE  12 OTHER_DETAILS: IN VITRO TRANSCRIPTION USING T7 RNA POLYMERASE;       
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: OCEANOBACILLUS IHEYENSIS;                       
SOURCE  16 ORGANISM_TAXID: 182710;                                              
SOURCE  17 OTHER_DETAILS: IN VITRO TRANSCRIPTION USING T7 RNA POLYMERASE        
KEYWDS    RIBOSWITCH MRNA, TRNA-MRNA COMPLEX, GENE EXPRESSION REGULATION,       
KEYWDS   2 BACTERIA, RIBOSOMAL PROTEIN-RNA COMPLEX                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.ZHANG,A.R.FERRE-D'AMARE                                             
REVDAT   4   15-NOV-17 4LCK    1       REMARK                                   
REVDAT   3   23-NOV-16 4LCK    1       SOURCE                                   
REVDAT   2   21-AUG-13 4LCK    1       JRNL   REMARK                            
REVDAT   1   31-JUL-13 4LCK    0                                                
JRNL        AUTH   J.ZHANG,A.R.FERRE-D'AMARE                                    
JRNL        TITL   CO-CRYSTAL STRUCTURE OF A T-BOX RIBOSWITCH STEM I DOMAIN IN  
JRNL        TITL 2 COMPLEX WITH ITS COGNATE TRNA.                               
JRNL        REF    NATURE                        V. 500   363 2013              
JRNL        REFN                   ISSN 0028-0836                               
JRNL        PMID   23892783                                                     
JRNL        DOI    10.1038/NATURE12440                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.2_1309                                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.42                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 45770                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.198                           
REMARK   3   R VALUE            (WORKING SET) : 0.196                           
REMARK   3   FREE R VALUE                     : 0.251                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.060                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2318                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 28.4168 -  8.1665    0.92     2414    89  0.1613 0.1810        
REMARK   3     2  8.1665 -  6.5076    0.97     2533   125  0.1757 0.2442        
REMARK   3     3  6.5076 -  5.6925    0.98     2517   132  0.1721 0.2560        
REMARK   3     4  5.6925 -  5.1754    0.99     2555   175  0.1563 0.2487        
REMARK   3     5  5.1754 -  4.8064    1.00     2609   132  0.1849 0.2452        
REMARK   3     6  4.8064 -  4.5242    1.00     2523   168  0.1899 0.2246        
REMARK   3     7  4.5242 -  4.2984    1.00     2559   161  0.1933 0.2729        
REMARK   3     8  4.2984 -  4.1119    1.00     2535   162  0.2036 0.2286        
REMARK   3     9  4.1119 -  3.9540    1.00     2619   137  0.2135 0.3009        
REMARK   3    10  3.9540 -  3.8179    1.00     2606   123  0.2410 0.2990        
REMARK   3    11  3.8179 -  3.6988    1.00     2537   123  0.2458 0.2903        
REMARK   3    12  3.6988 -  3.5933    0.99     2626   135  0.2676 0.3333        
REMARK   3    13  3.5933 -  3.4989    1.00     2561   125  0.2867 0.3292        
REMARK   3    14  3.4989 -  3.4136    0.99     2613   135  0.3075 0.3229        
REMARK   3    15  3.4136 -  3.3362    1.00     2537   126  0.3176 0.3770        
REMARK   3    16  3.3362 -  3.2653    0.99     2622   143  0.3214 0.3475        
REMARK   3    17  3.2653 -  3.2000    0.98     2486   127  0.3472 0.3800        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.470            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.130           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 128.6                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 128.0                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.001           9547                                  
REMARK   3   ANGLE     :  0.366          14681                                  
REMARK   3   CHIRALITY :  0.020           1966                                  
REMARK   3   PLANARITY :  0.001            531                                  
REMARK   3   DIHEDRAL  : 15.422           4573                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 23                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 2 THROUGH 38 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  35.7640  90.0457 258.1728              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0756 T22:   1.8267                                     
REMARK   3      T33:   0.8175 T12:   0.0631                                     
REMARK   3      T13:   0.0426 T23:  -0.5017                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4287 L22:   4.5778                                     
REMARK   3      L33:   0.7277 L12:  -1.9362                                     
REMARK   3      L13:  -0.3325 L23:  -1.4673                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0017 S12:  -2.7788 S13:   0.1857                       
REMARK   3      S21:   1.8679 S22:   0.8308 S23:   0.5915                       
REMARK   3      S31:  -0.8108 S32:  -1.0308 S33:   0.1123                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 39 THROUGH 61 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  42.5061  96.4913 259.0647              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.7313 T22:   1.7705                                     
REMARK   3      T33:   1.5383 T12:   0.1705                                     
REMARK   3      T13:  -0.3240 T23:  -0.8836                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5553 L22:   0.4270                                     
REMARK   3      L33:   1.1430 L12:  -0.2217                                     
REMARK   3      L13:   1.4893 L23:   0.5021                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7564 S12:  -3.2021 S13:   1.3045                       
REMARK   3      S21:   0.9226 S22:   0.7185 S23:   0.2829                       
REMARK   3      S31:   1.2452 S32:  -0.8301 S33:  -0.0090                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 62 THROUGH 82 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  37.9310  84.9851 253.3905              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8872 T22:   1.7403                                     
REMARK   3      T33:   0.6508 T12:   0.3184                                     
REMARK   3      T13:  -0.0888 T23:  -0.3523                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1017 L22:   7.6103                                     
REMARK   3      L33:   6.2282 L12:   1.1732                                     
REMARK   3      L13:   0.9247 L23:   1.9356                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4556 S12:  -1.1420 S13:   1.5085                       
REMARK   3      S21:   0.2939 S22:   0.4800 S23:   0.3441                       
REMARK   3      S31:  -0.6539 S32:  -0.1783 S33:   0.1861                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 5 THROUGH 11 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  44.8559  91.9867 194.8057              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8046 T22:   0.9745                                     
REMARK   3      T33:   0.6971 T12:   0.4791                                     
REMARK   3      T13:  -0.0755 T23:   0.0372                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3775 L22:   3.8941                                     
REMARK   3      L33:   3.1246 L12:   0.4246                                     
REMARK   3      L13:  -0.5726 L23:   2.0259                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6798 S12:  -1.5906 S13:  -0.0536                       
REMARK   3      S21:   0.5834 S22:   0.7409 S23:  -0.5478                       
REMARK   3      S31:  -1.3608 S32:   0.0742 S33:   0.2620                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 12 THROUGH 20 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  37.7802  97.7608 187.2194              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9238 T22:   0.9097                                     
REMARK   3      T33:   0.8182 T12:   0.3599                                     
REMARK   3      T13:  -0.0699 T23:  -0.0311                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9440 L22:   3.0020                                     
REMARK   3      L33:   9.8420 L12:   0.3459                                     
REMARK   3      L13:  -0.8229 L23:  -4.3487                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1290 S12:   0.2764 S13:  -0.4901                       
REMARK   3      S21:   1.1008 S22:   0.1752 S23:   0.8878                       
REMARK   3      S31:  -0.7624 S32:  -0.6119 S33:   0.1924                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 21 THROUGH 30 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  33.8987 104.9769 207.1823              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2643 T22:   1.3622                                     
REMARK   3      T33:   0.9085 T12:   0.3093                                     
REMARK   3      T13:   0.3563 T23:   0.0660                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6415 L22:   1.2687                                     
REMARK   3      L33:   2.1297 L12:   0.5564                                     
REMARK   3      L13:   0.9874 L23:   0.0293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3830 S12:  -0.0700 S13:   0.3611                       
REMARK   3      S21:   0.3005 S22:   0.3965 S23:   0.7238                       
REMARK   3      S31:  -1.2812 S32:  -0.9120 S33:  -0.0037                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 31 THROUGH 46 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  32.4493 107.9660 213.0909              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3995 T22:   1.4481                                     
REMARK   3      T33:   1.0671 T12:   0.5794                                     
REMARK   3      T13:   0.1310 T23:  -0.1047                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6157 L22:   0.9667                                     
REMARK   3      L33:   5.2274 L12:   1.2270                                     
REMARK   3      L13:  -1.5192 L23:  -0.4493                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7141 S12:   0.6011 S13:   1.1368                       
REMARK   3      S21:  -0.2263 S22:  -0.4260 S23:  -0.2789                       
REMARK   3      S31:  -1.3462 S32:  -2.2547 S33:   0.1636                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 47 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  53.3870  88.0783 181.0082              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4865 T22:   0.5287                                     
REMARK   3      T33:   0.5495 T12:   0.1061                                     
REMARK   3      T13:  -0.0042 T23:  -0.0138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4108 L22:   0.8706                                     
REMARK   3      L33:   1.6979 L12:  -1.4299                                     
REMARK   3      L13:  -1.3890 L23:   0.7145                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1543 S12:  -0.1811 S13:   0.2527                       
REMARK   3      S21:  -0.0754 S22:   0.2753 S23:  -0.3210                       
REMARK   3      S31:  -0.2762 S32:  -0.0398 S33:  -0.0828                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 24 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  25.5626  93.5301 233.5518              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5616 T22:   0.9573                                     
REMARK   3      T33:   0.5494 T12:   0.1046                                     
REMARK   3      T13:  -0.0359 T23:  -0.3571                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0914 L22:   1.1141                                     
REMARK   3      L33:   1.6948 L12:  -0.7645                                     
REMARK   3      L13:  -0.2124 L23:   1.4945                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3850 S12:   0.4372 S13:   0.7987                       
REMARK   3      S21:  -0.0660 S22:   0.5774 S23:  -0.0361                       
REMARK   3      S31:  -0.6893 S32:  -0.9340 S33:   0.1074                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 25 THROUGH 36 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.4871 119.6724 203.8813              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6745 T22:   2.2070                                     
REMARK   3      T33:   0.7817 T12:   0.7037                                     
REMARK   3      T13:  -0.3986 T23:   0.2028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9770 L22:   1.7915                                     
REMARK   3      L33:   5.6627 L12:  -1.2036                                     
REMARK   3      L13:  -3.1771 L23:   2.7053                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4069 S12:  -0.6480 S13:   0.1248                       
REMARK   3      S21:  -0.5845 S22:  -0.4830 S23:  -0.2386                       
REMARK   3      S31:  -2.4110 S32:   0.6781 S33:   0.2478                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 37 THROUGH 67 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  32.2619 117.2761 176.6655              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6691 T22:   0.3812                                     
REMARK   3      T33:   0.6687 T12:   0.1269                                     
REMARK   3      T13:   0.0056 T23:  -0.0438                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9550 L22:   2.3684                                     
REMARK   3      L33:   2.2874 L12:  -1.8234                                     
REMARK   3      L13:  -0.3695 L23:   0.3293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0172 S12:   0.0900 S13:   0.6035                       
REMARK   3      S21:  -0.7876 S22:  -0.0595 S23:  -0.7399                       
REMARK   3      S31:   0.1842 S32:   0.4419 S33:   0.0708                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 68 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  20.6648 105.0087 220.7804              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8636 T22:   1.1074                                     
REMARK   3      T33:   0.7945 T12:   0.2553                                     
REMARK   3      T13:  -0.1006 T23:  -0.2244                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.1992 L22:   0.8962                                     
REMARK   3      L33:   0.6281 L12:   0.2380                                     
REMARK   3      L13:  -0.1076 L23:  -1.0196                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0429 S12:   0.1416 S13:   0.1130                       
REMARK   3      S21:  -0.4493 S22:   0.2170 S23:   0.1026                       
REMARK   3      S31:   0.0042 S32:  -1.1004 S33:  -0.0635                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 2 THROUGH 25 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  58.9166  67.5178  77.3398              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.8461 T22:   3.6533                                     
REMARK   3      T33:   2.5590 T12:   1.0806                                     
REMARK   3      T13:  -0.7461 T23:  -2.2234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0807 L22:   1.4179                                     
REMARK   3      L33:   0.3783 L12:   0.1903                                     
REMARK   3      L13:   0.1252 L23:  -0.1667                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1284 S12:   0.1997 S13:  -0.1280                       
REMARK   3      S21:  -2.7754 S22:   0.5135 S23:  -0.2917                       
REMARK   3      S31:  -0.2618 S32:   0.1621 S33:  -0.4737                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 26 THROUGH 38 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  56.3654  60.9172  78.6170              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.3315 T22:   1.5886                                     
REMARK   3      T33:   4.1158 T12:  -0.1311                                     
REMARK   3      T13:  -1.1104 T23:  -0.7078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4744 L22:   4.2196                                     
REMARK   3      L33:   5.0695 L12:   0.7198                                     
REMARK   3      L13:  -4.1706 L23:   1.5545                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.6403 S12:  -0.0279 S13:   0.4784                       
REMARK   3      S21:  -0.0771 S22:  -0.3689 S23:   1.0936                       
REMARK   3      S31:  -0.6016 S32:   0.0355 S33:   1.2836                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 39 THROUGH 69 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  55.4982  59.1453  80.4889              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   3.1501 T22:   1.5478                                     
REMARK   3      T33:   2.0097 T12:   0.0014                                     
REMARK   3      T13:  -0.4562 T23:  -0.9614                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2941 L22:   7.5389                                     
REMARK   3      L33:   1.4889 L12:  -2.9275                                     
REMARK   3      L13:   0.5494 L23:  -2.2865                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.7699 S12:   0.4723 S13:  -1.9396                       
REMARK   3      S21:  -0.6914 S22:   0.0698 S23:   1.9525                       
REMARK   3      S31:   0.5208 S32:   0.0952 S33:   2.9303                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 70 THROUGH 82 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  62.2309  65.2549  80.4787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.3245 T22:   2.4473                                     
REMARK   3      T33:   3.0471 T12:  -0.1539                                     
REMARK   3      T13:   0.3284 T23:  -0.3187                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9693 L22:   0.0561                                     
REMARK   3      L33:   4.6957 L12:   0.1449                                     
REMARK   3      L13:   2.9817 L23:   0.3093                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0171 S12:   1.5564 S13:   0.5013                       
REMARK   3      S21:  -1.5718 S22:   0.6240 S23:   0.0297                       
REMARK   3      S31:   0.8729 S32:  -1.2496 S33:  -0.1571                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 5 THROUGH 15 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  61.4695  61.7629 139.4039              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8576 T22:   0.9202                                     
REMARK   3      T33:   0.8856 T12:   0.2192                                     
REMARK   3      T13:  -0.1033 T23:   0.1016                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7013 L22:   2.5518                                     
REMARK   3      L33:   0.7574 L12:  -0.1946                                     
REMARK   3      L13:  -0.8210 L23:  -0.1206                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7118 S12:   1.2823 S13:   0.6827                       
REMARK   3      S21:  -0.5221 S22:  -0.7187 S23:  -0.9043                       
REMARK   3      S31:  -0.3204 S32:   0.3071 S33:   0.7351                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 16 THROUGH 20 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  53.3199  67.1724 152.6283              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0966 T22:   1.0529                                     
REMARK   3      T33:   1.1421 T12:   0.3291                                     
REMARK   3      T13:   0.2269 T23:   0.2479                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9005 L22:   3.6752                                     
REMARK   3      L33:   8.7684 L12:  -1.7518                                     
REMARK   3      L13:  -1.2534 L23:   1.0305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4676 S12:   0.2022 S13:  -0.4049                       
REMARK   3      S21:   0.5445 S22:   0.3154 S23:   1.1319                       
REMARK   3      S31:  -1.1254 S32:  -0.2364 S33:  -0.2863                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 21 THROUGH 42 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  46.5095  73.4768 121.3803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9523 T22:   1.2382                                     
REMARK   3      T33:   1.0627 T12:   0.1680                                     
REMARK   3      T13:  -0.2023 T23:   0.0195                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8865 L22:   0.3283                                     
REMARK   3      L33:   0.8685 L12:  -0.2744                                     
REMARK   3      L13:   0.4650 L23:  -0.6178                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3708 S12:   1.0311 S13:  -0.7848                       
REMARK   3      S21:   0.2102 S22:  -0.1524 S23:   0.3262                       
REMARK   3      S31:  -0.4761 S32:   0.1427 S33:   0.1917                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 43 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  63.6549  52.1949 151.4729              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9985 T22:   0.7636                                     
REMARK   3      T33:   1.1269 T12:   0.0183                                     
REMARK   3      T13:   0.0475 T23:   0.0411                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4256 L22:   2.9594                                     
REMARK   3      L33:   2.0516 L12:  -1.6092                                     
REMARK   3      L13:   0.1452 L23:  -1.7186                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3638 S12:  -0.0269 S13:  -0.7237                       
REMARK   3      S21:  -0.1484 S22:   0.7594 S23:   0.2508                       
REMARK   3      S31:   0.3647 S32:  -0.4343 S33:  -0.3166                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 1 THROUGH 35 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  51.0821  83.3757 109.6198              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4635 T22:   1.0267                                     
REMARK   3      T33:   0.8571 T12:   0.1048                                     
REMARK   3      T13:  -0.0816 T23:  -0.1617                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9372 L22:   0.3903                                     
REMARK   3      L33:   3.7930 L12:  -0.6830                                     
REMARK   3      L13:  -0.2685 L23:   2.1599                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.8828 S12:   1.4594 S13:  -0.3695                       
REMARK   3      S21:  -0.6435 S22:  -1.2091 S23:   0.3903                       
REMARK   3      S31:  -1.0063 S32:  -1.8421 S33:   0.0634                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 36 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  37.3537  78.6749 151.6174              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5558 T22:   0.6895                                     
REMARK   3      T33:   0.8230 T12:   0.0249                                     
REMARK   3      T13:  -0.0843 T23:  -0.0678                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8551 L22:   4.7034                                     
REMARK   3      L33:   3.9945 L12:  -3.5068                                     
REMARK   3      L13:   0.1624 L23:   0.8860                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5149 S12:  -0.3170 S13:  -0.7055                       
REMARK   3      S21:   0.2292 S22:   0.1634 S23:   0.9466                       
REMARK   3      S31:   0.3932 S32:  -0.0680 S33:   0.3632                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 80 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  55.7220  83.0676 101.5276              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3854 T22:   0.9883                                     
REMARK   3      T33:   0.8788 T12:   0.2078                                     
REMARK   3      T13:  -0.3446 T23:  -0.0817                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3907 L22:   1.4791                                     
REMARK   3      L33:   2.1993 L12:   0.2335                                     
REMARK   3      L13:  -2.2269 L23:   0.3955                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5917 S12:   0.6958 S13:   0.0441                       
REMARK   3      S21:  -0.6951 S22:  -0.3660 S23:  -0.0314                       
REMARK   3      S31:  -1.2405 S32:  -0.3718 S33:  -0.1979                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4LCK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000080459.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-AUG-12; NULL; NULL; NULL        
REMARK 200  TEMPERATURE           (KELVIN) : 100; NULL; NULL; NULL              
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y; Y; Y                         
REMARK 200  RADIATION SOURCE               : APS; APS; ALS; ALS                 
REMARK 200  BEAMLINE                       : 24-ID-E; 24-ID-C; 5.0.1; 5.0.2     
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL; NULL; NULL             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; NULL; NULL; NULL                
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793; 0.9793; 0.9793; 0.9793     
REMARK 200  MONOCHROMATOR                  : KOHZU HLD8-24 MONOCHROMATOR;       
REMARK 200                                   NULL; NULL; NULL                   
REMARK 200  OPTICS                         : NULL; NULL; NULL; NULL             
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD; CCD; CCD                 
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315; ADSC QUANTUM     
REMARK 200                                   315; ADSC QUANTUM 315R; ADSC       
REMARK 200                                   QUANTUM 315R                       
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 28.420                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.500                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY                : 6.100                              
REMARK 200  R MERGE                    (I) : 0.06200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.27                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; NULL; NULL; NULL            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT, SAD   
REMARK 200 SOFTWARE USED: SHELXD, PHENIX                                        
REMARK 200 STARTING MODEL: PDB ENTRIES 3L0U AND 3V7E                            
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.44                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM BIS-TRIS (HCL) PH 6.5, 300 MM      
REMARK 280  LI2SO4, AND 20% (W/V) PEG3350, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      133.44300            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000      133.44300            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       50.19100            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       54.23700            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       50.19100            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       54.23700            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000      133.44300            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       50.19100            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       54.23700            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      133.44300            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       50.19100            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       54.23700            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ASP A   4    CG   OD1  OD2                                       
REMARK 470     LYS A   5    CG   CD   CE   NZ                                   
REMARK 470     LYS A  10    CG   CD   CE   NZ                                   
REMARK 470     LYS A  17    CG   CD   CE   NZ                                   
REMARK 470     LYS A  21    CD   CE   NZ                                        
REMARK 470     LYS A  29    CG   CD   CE   NZ                                   
REMARK 470     LYS A  35    CD   CE   NZ                                        
REMARK 470     ASP A  38    CG   OD1  OD2                                       
REMARK 470     LEU A  48    CG   CD1  CD2                                       
REMARK 470     ASP A  51    CG   OD1  OD2                                       
REMARK 470     GLU A  60    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  63    CD   CE   NZ                                        
REMARK 470     LYS A  64    CD   CE   NZ                                        
REMARK 470     LYS A  67    CD   CE   NZ                                        
REMARK 470     ILE A  71    CG1  CG2  CD1                                       
REMARK 470     GLU A  72    CG   CD   OE1  OE2                                  
REMARK 470     ILE A  81    CG1  CG2  CD1                                       
REMARK 470       U B  16    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  16    C6                                                  
REMARK 470       U B  46    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  46    C6                                                  
REMARK 470     ASP D   4    CG   OD1  OD2                                       
REMARK 470     LYS D   5    CG   CD   CE   NZ                                   
REMARK 470     LYS D  10    CG   CD   CE   NZ                                   
REMARK 470     LYS D  17    CG   CD   CE   NZ                                   
REMARK 470     LYS D  21    CD   CE   NZ                                        
REMARK 470     LYS D  29    CG   CD   CE   NZ                                   
REMARK 470     LYS D  35    CD   CE   NZ                                        
REMARK 470     ASP D  38    CG   OD1  OD2                                       
REMARK 470     LEU D  48    CG   CD1  CD2                                       
REMARK 470     ASP D  51    CG   OD1  OD2                                       
REMARK 470     GLU D  60    CG   CD   OE1  OE2                                  
REMARK 470     LYS D  63    CD   CE   NZ                                        
REMARK 470     LYS D  64    CD   CE   NZ                                        
REMARK 470     LYS D  67    CD   CE   NZ                                        
REMARK 470     ILE D  71    CG1  CG2  CD1                                       
REMARK 470     GLU D  72    CG   CD   OE1  OE2                                  
REMARK 470     ILE D  81    CG1  CG2  CD1                                       
REMARK 470       U E  46    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U E  46    C6                                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O2'    G E     7     OP2    G E    48              1.99            
REMARK 500   OP2    G C    59     O    HOH C   305              2.08            
REMARK 500   OP2    A C    60     O    HOH C   304              2.08            
REMARK 500   O2'    G B     7     OP2    G B    48              2.11            
REMARK 500   OP2    A C    14     O    HOH C   308              2.14            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500      G E  76   OP1 -  P   -  OP2 ANGL. DEV. = -10.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLN A   8     -136.35    -86.23                                   
REMARK 500    ALA A   9      166.90     62.07                                   
REMARK 500    GLU A  60      -72.93    -67.01                                   
REMARK 500    VAL A  73      -22.72   -140.56                                   
REMARK 500    LYS D  10      -84.51    -75.92                                   
REMARK 500    VAL D  73      -58.37   -155.31                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 213  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G C  43   O6                                                     
REMARK 620 2   G C  43   N7   70.7                                              
REMARK 620 3 HOH C 303   O    70.9  68.0                                        
REMARK 620 4 HOH C 301   O   118.5  57.6  60.9                                  
REMARK 620 5 HOH C 302   O    64.6 126.7  71.2 124.5                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 211  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   C C 102   O3'                                                    
REMARK 620 2   C C 102   O2'  60.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR C 205  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G C  59   O6                                                     
REMARK 620 2   U C  55   O2  151.7                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR F 209  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G F  43   O6                                                     
REMARK 620 2   G F  43   N7   67.7                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR B 116  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G B  45   O2'                                                    
REMARK 620 2   A B  20   N7   99.4                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR F 210  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   U F  37   O4                                                     
REMARK 620 2   G F  70   O6   88.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR E 109  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G E  39   N3                                                     
REMARK 620 2   U E  40   O4'  82.3                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR E 114  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G E  10   OP2                                                    
REMARK 620 2   U E  11   OP2 118.5                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR B 112  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G B  38   O6                                                     
REMARK 620 2 HOH B 205   O    68.4                                              
REMARK 620 3 HOH B 206   O   107.3 167.7                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR F 217  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   U F  75   O4                                                     
REMARK 620 2   G F  74   O6   69.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR E 101  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH E 204   O                                                      
REMARK 620 2 HOH E 201   O   164.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              SR B 102  SR                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH B 204   O                                                      
REMARK 620 2 HOH B 201   O   107.5                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 103                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 104                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 105                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 109                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 111                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 112                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 114                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 115                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 116                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 117                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 118                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 119                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 120                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 121                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 122                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 123                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 202                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 203                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 204                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 205                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 206                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 210                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 211                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 213                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 214                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 216                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 217                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 218                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 219                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR C 221                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 224                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 225                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 103                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 109                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 110                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 111                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 112                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 114                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR E 115                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG E 116                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 202                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 203                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 204                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 205                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 206                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 207                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 209                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 210                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: FC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 215                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 216                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 217                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 218                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR F 219                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG F 220                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: GC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG F 221                  
DBREF  4LCK A    2    82  UNP    P46350   RXL7_BACSU       2     82             
DBREF  4LCK D    2    82  UNP    P46350   RXL7_BACSU       2     82             
DBREF  4LCK B    5    79  PDB    4LCK     4LCK             5     79             
DBREF  4LCK E    5    79  PDB    4LCK     4LCK             5     79             
DBREF  4LCK C    1   102  PDB    4LCK     4LCK             1    102             
DBREF  4LCK F    1   102  PDB    4LCK     4LCK             1    102             
SEQRES   1 A   81  SER TYR ASP LYS VAL SER GLN ALA LYS SER ILE ILE ILE          
SEQRES   2 A   81  GLY THR LYS GLN THR VAL LYS ALA LEU LYS ARG GLY SER          
SEQRES   3 A   81  VAL LYS GLU VAL VAL VAL ALA LYS ASP ALA ASP PRO ILE          
SEQRES   4 A   81  LEU THR SER SER VAL VAL SER LEU ALA GLU ASP GLN GLY          
SEQRES   5 A   81  ILE SER VAL SER MSE VAL GLU SER MSE LYS LYS LEU GLY          
SEQRES   6 A   81  LYS ALA CYS GLY ILE GLU VAL GLY ALA ALA ALA VAL ALA          
SEQRES   7 A   81  ILE ILE LEU                                                  
SEQRES   1 B   75    G   A   G   U   A   G   U   U   C   A   G   U   G          
SEQRES   2 B   75    G   U   A   G   A   A   C   A   C   C   A   C   C          
SEQRES   3 B   75    U   U   G   C   C   A   A   G   G   U   G   G   G          
SEQRES   4 B   75    G   G   U   C   G   C   G   G   G   U   U   C   G          
SEQRES   5 B   75    A   A   U   C   C   C   G   U   C   U   C   G   G          
SEQRES   6 B   75    G   C   G   A   A   A   G   C   C   C                      
SEQRES   1 C  102    G   G   G   U   G   C   G   A   U   G   A   G   A          
SEQRES   2 C  102    A   G   A   A   G   A   G   U   A   U   U   A   A          
SEQRES   3 C  102    G   G   A   U   U   U   A   C   U   A   U   G   A          
SEQRES   4 C  102    U   U   A   G   C   G   A   C   U   C   U   A   G          
SEQRES   5 C  102    G   A   U   A   G   U   G   A   A   A   G   C   U          
SEQRES   6 C  102    A   G   A   G   G   A   U   A   G   U   A   A   C          
SEQRES   7 C  102    C   U   U   A   A   G   A   A   G   G   C   A   C          
SEQRES   8 C  102    U   U   C   G   A   G   C   A   C   C   C                  
SEQRES   1 D   81  SER TYR ASP LYS VAL SER GLN ALA LYS SER ILE ILE ILE          
SEQRES   2 D   81  GLY THR LYS GLN THR VAL LYS ALA LEU LYS ARG GLY SER          
SEQRES   3 D   81  VAL LYS GLU VAL VAL VAL ALA LYS ASP ALA ASP PRO ILE          
SEQRES   4 D   81  LEU THR SER SER VAL VAL SER LEU ALA GLU ASP GLN GLY          
SEQRES   5 D   81  ILE SER VAL SER MSE VAL GLU SER MSE LYS LYS LEU GLY          
SEQRES   6 D   81  LYS ALA CYS GLY ILE GLU VAL GLY ALA ALA ALA VAL ALA          
SEQRES   7 D   81  ILE ILE LEU                                                  
SEQRES   1 E   75    G   A   G   U   A   G   U   U   C   A   G   U   G          
SEQRES   2 E   75    G   U   A   G   A   A   C   A   C   C   A   C   C          
SEQRES   3 E   75    U   U   G   C   C   A   A   G   G   U   G   G   G          
SEQRES   4 E   75    G   G   U   C   G   C   G   G   G   U   U   C   G          
SEQRES   5 E   75    A   A   U   C   C   C   G   U   C   U   C   G   G          
SEQRES   6 E   75    G   C   G   A   A   A   G   C   C   C                      
SEQRES   1 F  102    G   G   G   U   G   C   G   A   U   G   A   G   A          
SEQRES   2 F  102    A   G   A   A   G   A   G   U   A   U   U   A   A          
SEQRES   3 F  102    G   G   A   U   U   U   A   C   U   A   U   G   A          
SEQRES   4 F  102    U   U   A   G   C   G   A   C   U   C   U   A   G          
SEQRES   5 F  102    G   A   U   A   G   U   G   A   A   A   G   C   U          
SEQRES   6 F  102    A   G   A   G   G   A   U   A   G   U   A   A   C          
SEQRES   7 F  102    C   U   U   A   A   G   A   A   G   G   C   A   C          
SEQRES   8 F  102    U   U   C   G   A   G   C   A   C   C   C                  
MODRES 4LCK MSE A   58  MET  SELENOMETHIONINE                                   
MODRES 4LCK MSE A   62  MET  SELENOMETHIONINE                                   
MODRES 4LCK MSE D   58  MET  SELENOMETHIONINE                                   
MODRES 4LCK MSE D   62  MET  SELENOMETHIONINE                                   
HET    MSE  A  58       8                                                       
HET    MSE  A  62       8                                                       
HET    MSE  D  58       8                                                       
HET    MSE  D  62       8                                                       
HET     SR  B 101       1                                                       
HET     SR  B 102       1                                                       
HET     SR  B 103       1                                                       
HET     SR  B 104       1                                                       
HET     SR  B 105       1                                                       
HET     SR  B 106       1                                                       
HET     SR  B 107       1                                                       
HET     SR  B 108       1                                                       
HET     SR  B 109       1                                                       
HET     SR  B 110       1                                                       
HET     SR  B 111       1                                                       
HET     SR  B 112       1                                                       
HET     SR  B 113       1                                                       
HET     SR  B 114       1                                                       
HET     SR  B 115       1                                                       
HET     SR  B 116       1                                                       
HET     SR  B 117       1                                                       
HET     SR  B 118       1                                                       
HET     SR  B 119       1                                                       
HET     SR  B 120       1                                                       
HET     SR  B 121       1                                                       
HET     SR  B 122       1                                                       
HET     SR  B 123       1                                                       
HET     SR  C 201       1                                                       
HET     SR  C 202       1                                                       
HET     SR  C 203       1                                                       
HET     SR  C 204       1                                                       
HET     SR  C 205       1                                                       
HET     SR  C 206       1                                                       
HET     SR  C 207       1                                                       
HET     SR  C 208       1                                                       
HET     SR  C 209       1                                                       
HET     SR  C 210       1                                                       
HET     SR  C 211       1                                                       
HET     SR  C 212       1                                                       
HET     SR  C 213       1                                                       
HET     SR  C 214       1                                                       
HET     SR  C 215       1                                                       
HET     SR  C 216       1                                                       
HET     SR  C 217       1                                                       
HET     SR  C 218       1                                                       
HET     SR  C 219       1                                                       
HET     SR  C 220       1                                                       
HET     SR  C 221       1                                                       
HET     SR  C 222       1                                                       
HET     MG  C 223       1                                                       
HET     MG  C 224       1                                                       
HET     MG  C 225       1                                                       
HET     SR  E 101       1                                                       
HET     SR  E 102       1                                                       
HET     SR  E 103       1                                                       
HET     SR  E 104       1                                                       
HET     SR  E 105       1                                                       
HET     SR  E 106       1                                                       
HET     SR  E 107       1                                                       
HET     SR  E 108       1                                                       
HET     SR  E 109       1                                                       
HET     SR  E 110       1                                                       
HET     SR  E 111       1                                                       
HET     SR  E 112       1                                                       
HET     SR  E 113       1                                                       
HET     SR  E 114       1                                                       
HET     SR  E 115       1                                                       
HET     MG  E 116       1                                                       
HET     MG  E 117       1                                                       
HET     SR  F 201       1                                                       
HET     SR  F 202       1                                                       
HET     SR  F 203       1                                                       
HET     SR  F 204       1                                                       
HET     SR  F 205       1                                                       
HET     SR  F 206       1                                                       
HET     SR  F 207       1                                                       
HET     SR  F 208       1                                                       
HET     SR  F 209       1                                                       
HET     SR  F 210       1                                                       
HET     SR  F 211       1                                                       
HET     SR  F 212       1                                                       
HET     SR  F 213       1                                                       
HET     SR  F 214       1                                                       
HET     SR  F 215       1                                                       
HET     SR  F 216       1                                                       
HET     SR  F 217       1                                                       
HET     SR  F 218       1                                                       
HET     SR  F 219       1                                                       
HET     MG  F 220       1                                                       
HET     MG  F 221       1                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM      SR STRONTIUM ION                                                    
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   1  MSE    4(C5 H11 N O2 SE)                                            
FORMUL   7   SR    79(SR 2+)                                                    
FORMUL  52   MG    7(MG 2+)                                                     
FORMUL  93  HOH   *22(H2 O)                                                     
HELIX    1   1 SER A    2  GLN A    8  1                                   7    
HELIX    2   2 GLY A   15  LYS A   24  1                                  10    
HELIX    3   3 ASP A   38  GLY A   53  1                                  16    
HELIX    4   4 MSE A   62  GLY A   70  1                                   9    
HELIX    5   5 TYR D    3  GLN D    8  1                                   6    
HELIX    6   6 GLY D   15  LYS D   24  1                                  10    
HELIX    7   7 ASP D   38  GLY D   53  1                                  16    
HELIX    8   8 SER D   61  GLY D   70  1                                  10    
SHEET    1   A 4 ILE A  12  ILE A  14  0                                        
SHEET    2   A 4 ALA A  77  ILE A  80 -1  O  ALA A  79   N  ILE A  13           
SHEET    3   A 4 GLU A  30  ALA A  34 -1  N  VAL A  32   O  VAL A  78           
SHEET    4   A 4 VAL A  56  VAL A  59  1  O  VAL A  59   N  VAL A  33           
SHEET    1   B 4 SER D  11  ILE D  14  0                                        
SHEET    2   B 4 ALA D  77  ILE D  81 -1  O  ALA D  79   N  ILE D  13           
SHEET    3   B 4 GLU D  30  ALA D  34 -1  N  VAL D  32   O  VAL D  78           
SHEET    4   B 4 SER D  55  VAL D  59  1  O  SER D  55   N  VAL D  31           
LINK         C   SER A  57                 N   MSE A  58     1555   1555  1.33  
LINK         C   MSE A  58                 N   VAL A  59     1555   1555  1.33  
LINK         C   SER A  61                 N   MSE A  62     1555   1555  1.33  
LINK         C   MSE A  62                 N   LYS A  63     1555   1555  1.33  
LINK         C   SER D  57                 N   MSE D  58     1555   1555  1.33  
LINK         C   MSE D  58                 N   VAL D  59     1555   1555  1.33  
LINK         C   SER D  61                 N   MSE D  62     1555   1555  1.33  
LINK         C   MSE D  62                 N   LYS D  63     1555   1555  1.33  
LINK         O4'   A E  20                MG    MG E 116     1555   1555  2.31  
LINK         O6    G C  20                MG    MG C 224     1555   1555  2.32  
LINK         OP2   A C  26                SR    SR C 221     1555   1555  2.39  
LINK         OP2   A F  39                SR    SR F 219     1555   1555  2.52  
LINK         O6    G C  43                SR    SR C 213     1555   1555  2.58  
LINK         O3'   C C 102                SR    SR C 211     1555   1555  2.63  
LINK         OP2   A F  51                SR    SR F 215     1555   1555  2.65  
LINK         O6    G F  43                SR    SR F 203     1555   1555  2.66  
LINK         OP1   A B   9                SR    SR B 122     1555   1555  2.66  
LINK         O6    G C  59                SR    SR C 205     1555   1555  2.67  
LINK         O6    G F  43                SR    SR F 209     1555   1555  2.72  
LINK         N7    G C  97                SR    SR C 202     1555   1555  2.73  
LINK         N7    G F  97                SR    SR F 202     1555   1555  2.74  
LINK         N7    G C  43                SR    SR C 213     1555   1555  2.75  
LINK         O2'   G B  45                SR    SR B 116     1555   1555  2.75  
LINK         O4    U F  37                SR    SR F 210     1555   1555  2.76  
LINK         O4    U B  54                SR    SR B 103     1555   1555  2.77  
LINK         O6    G F  70                SR    SR F 210     1555   1555  2.80  
LINK         N3    G E  39                SR    SR E 109     1555   1555  2.80  
LINK         O2'   C C 102                SR    SR C 211     1555   1555  2.81  
LINK         OP2   G E  10                SR    SR E 114     1555   1555  2.81  
LINK         N7    G F  43                SR    SR F 209     1555   1555  2.82  
LINK         OP2   U E  11                SR    SR E 114     1555   1555  2.82  
LINK         N4    C B  62                SR    SR B 115     1555   1555  2.85  
LINK         O6    G F  59                SR    SR F 204     1555   1555  2.85  
LINK         O3'   U E  19                SR    SR E 115     1555   1555  2.87  
LINK         N7    A B  20                SR    SR B 116     1555   1555  2.88  
LINK         O6    G B  38                SR    SR B 112     1555   1555  2.88  
LINK         OP2   U E  12                SR    SR E 111     1555   1555  2.89  
LINK         O2    U C  55                SR    SR C 205     1555   1555  2.92  
LINK         OP1   A F  46                SR    SR F 207     1555   1555  2.94  
LINK         O6    G E  38                SR    SR E 103     1555   1555  2.96  
LINK         O4    U F  75                SR    SR F 217     1555   1555  2.97  
LINK         O4'   U E  40                SR    SR E 109     1555   1555  2.97  
LINK         O6    G F  74                SR    SR F 217     1555   1555  3.00  
LINK        SR    SR C 213                 O   HOH C 303     1555   1555  2.53  
LINK        SR    SR C 213                 O   HOH C 301     1555   1555  2.62  
LINK        SR    SR C 213                 O   HOH C 302     1555   1555  2.62  
LINK        SR    SR E 101                 O   HOH E 204     1555   1555  2.73  
LINK        SR    SR B 112                 O   HOH B 205     1555   1555  2.73  
LINK        SR    SR C 201                 O   HOH C 306     1555   1555  2.76  
LINK        SR    SR B 112                 O   HOH B 206     1555   1555  2.78  
LINK        SR    SR B 102                 O   HOH B 204     1555   1555  2.85  
LINK        SR    SR B 102                 O   HOH B 201     1555   1555  2.90  
LINK        SR    SR E 101                 O   HOH E 201     1555   1555  2.95  
LINK        SR    SR C 204                 O   HOH C 308     1555   1555  2.99  
SITE     1 AC1  2 HOH B 201  HOH B 204                                          
SITE     1 AC2  1   U B  54                                                     
SITE     1 AC3  2   G B  69   SR B 114                                          
SITE     1 AC4  1   U B  19                                                     
SITE     1 AC5  2   G B   7    G B  48                                          
SITE     1 AC6  1   G B  44                                                     
SITE     1 AC7  3   G B  38  HOH B 205  HOH B 206                               
SITE     1 AC8  1  SR B 104                                                     
SITE     1 AC9  2   C B  62    G B  63                                          
SITE     1 BC1  2   A B  20    G B  45                                          
SITE     1 BC2  2   G B  50    G B  51                                          
SITE     1 BC3  1   G B  63                                                     
SITE     1 BC4  2   U B  31    U B  32                                          
SITE     1 BC5  2   G B  43    G B  44                                          
SITE     1 BC6  1   G B  63                                                     
SITE     1 BC7  2   A B   9    G B  10                                          
SITE     1 BC8  2   C B  27    G B  42                                          
SITE     1 BC9  4   G C  59  HOH C 304  HOH C 305  HOH C 306                    
SITE     1 CC1  1   G C  97                                                     
SITE     1 CC2  1   G C  12                                                     
SITE     1 CC3  1 HOH C 308                                                     
SITE     1 CC4  2   U C  55    G C  59                                          
SITE     1 CC5  1   G C  18                                                     
SITE     1 CC6  2   G C  28    U C  30                                          
SITE     1 CC7  2   A C  39    C C 102                                          
SITE     1 CC8  4   G C  43  HOH C 301  HOH C 302  HOH C 303                    
SITE     1 CC9  1   G C  43                                                     
SITE     1 DC1  3   U C  37    G C  38    G C  70                               
SITE     1 DC2  1   G C  74                                                     
SITE     1 DC3  2   U C   4    G C   5                                          
SITE     1 DC4  1   G C   2                                                     
SITE     1 DC5  1   A C  26                                                     
SITE     1 DC6  1   G C  20                                                     
SITE     1 DC7  2   G C  28    A C  29                                          
SITE     1 DC8  3   G E  52  HOH E 201  HOH E 204                               
SITE     1 DC9  1   G E  44                                                     
SITE     1 EC1  1   G E  38                                                     
SITE     1 EC2  2   G E  39    U E  40                                          
SITE     1 EC3  2   G E   7    G E  48                                          
SITE     1 EC4  2   U E  11    U E  12                                          
SITE     1 EC5  2   C E  30    U E  32                                          
SITE     1 EC6  3   A E   9    G E  10    U E  11                               
SITE     1 EC7  2   U E  19    G E  21                                          
SITE     1 EC8  3   A E  14    A E  20    G E  21                               
SITE     1 EC9  4   A F  39    A F  60    C F 102   SR F 219                    
SITE     1 FC1  1   G F  97                                                     
SITE     1 FC2  2   G F  43  HOH F 301                                          
SITE     1 FC3  2   U F  55    G F  59                                          
SITE     1 FC4  1   A F  11                                                     
SITE     1 FC5  1   G F  59                                                     
SITE     1 FC6  2   G F  45    A F  46                                          
SITE     1 FC7  1   G F  43                                                     
SITE     1 FC8  3   U F  37    G F  38    G F  70                               
SITE     1 FC9  2   U F  50    A F  51                                          
SITE     1 GC1  1   G F  18                                                     
SITE     1 GC2  2   G F  74    U F  75                                          
SITE     1 GC3  2   A F  71    U F  72                                          
SITE     1 GC4  5   G F  38    A F  39    A F  46    C F 102                    
SITE     2 GC4  5  SR F 201                                                     
SITE     1 GC5  1   U F  21                                                     
SITE     1 GC6  1   A F  54                                                     
CRYST1  100.382  108.474  266.886  90.00  90.00  90.00 C 2 2 21     16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.009962  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009219  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003747        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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