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Database: PDB
Entry: 4ZV0
LinkDB: 4ZV0
Original site: 4ZV0 
HEADER    PROTEIN BINDING                         18-MAY-15   4ZV0              
TITLE     STRUCTURE OF TSE6 IN COMPLEX WITH TSI6                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ANTIBACTERIAL EFFECTOR SECRETED PROTEIN (TYPE VI SECRETION 
COMPND   3 SYSTEM);                                                             
COMPND   4 CHAIN: A;                                                            
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: TSE6-BINDING/TSE6 IMMUNITY PROTEIN;                        
COMPND   8 CHAIN: B;                                                            
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA (STRAIN ATCC 15692 /     
SOURCE   3 PAO1 / 1C / PRS 101 / LMG 12228);                                    
SOURCE   4 ORGANISM_TAXID: 208964;                                              
SOURCE   5 STRAIN: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228;                
SOURCE   6 GENE: PA0093;                                                        
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS;                                
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA (STRAIN ATCC 15692 /     
SOURCE  12 PAO1 / 1C / PRS 101 / LMG 12228);                                    
SOURCE  13 ORGANISM_TAXID: 208964;                                              
SOURCE  14 STRAIN: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228;                
SOURCE  15 GENE: PA0092;                                                        
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS                                 
KEYWDS    T6SS EFFECTOR-IMMUNITY PAIR, PROTEIN BINDING                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.C.WHITNEY,S.SAWAI,C.RALSTON,J.D.MOUGOUS                             
REVDAT   4   11-DEC-19 4ZV0    1       REMARK                                   
REVDAT   3   24-APR-19 4ZV0    1       REMARK                                   
REVDAT   2   20-SEP-17 4ZV0    1       REMARK                                   
REVDAT   1   11-NOV-15 4ZV0    0                                                
JRNL        AUTH   J.C.WHITNEY,D.QUENTIN,S.SAWAI,M.LEROUX,B.N.HARDING,          
JRNL        AUTH 2 H.E.LEDVINA,B.Q.TRAN,H.ROBINSON,Y.A.GOO,D.R.GOODLETT,        
JRNL        AUTH 3 S.RAUNSER,J.D.MOUGOUS                                        
JRNL        TITL   AN INTERBACTERIAL NAD(P)(+) GLYCOHYDROLASE TOXIN REQUIRES    
JRNL        TITL 2 ELONGATION FACTOR TU FOR DELIVERY TO TARGET CELLS.           
JRNL        REF    CELL                          V. 163   607 2015              
JRNL        REFN                   ISSN 1097-4172                               
JRNL        PMID   26456113                                                     
JRNL        DOI    10.1016/J.CELL.2015.09.027                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
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) : 1.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.26                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.110                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 64549                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.147                           
REMARK   3   R VALUE            (WORKING SET) : 0.147                           
REMARK   3   FREE R VALUE                     : 0.164                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.130                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2022                            
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 37.2741 -  3.3754    1.00     4540   147  0.1486 0.1612        
REMARK   3     2  3.3754 -  2.6794    1.00     4480   149  0.1527 0.1572        
REMARK   3     3  2.6794 -  2.3408    1.00     4492   146  0.1402 0.1803        
REMARK   3     4  2.3408 -  2.1268    1.00     4482   145  0.1336 0.1383        
REMARK   3     5  2.1268 -  1.9743    1.00     4446   140  0.1318 0.1367        
REMARK   3     6  1.9743 -  1.8579    1.00     4482   144  0.1337 0.1651        
REMARK   3     7  1.8579 -  1.7649    1.00     4445   147  0.1400 0.1846        
REMARK   3     8  1.7649 -  1.6881    1.00     4470   142  0.1415 0.1635        
REMARK   3     9  1.6881 -  1.6231    1.00     4456   143  0.1421 0.1637        
REMARK   3    10  1.6231 -  1.5671    1.00     4456   143  0.1538 0.1945        
REMARK   3    11  1.5671 -  1.5181    1.00     4439   147  0.1555 0.1651        
REMARK   3    12  1.5181 -  1.4747    1.00     4443   146  0.1669 0.1939        
REMARK   3    13  1.4747 -  1.4359    1.00     4453   140  0.1807 0.1858        
REMARK   3    14  1.4359 -  1.4008    1.00     4443   143  0.1992 0.2245        
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)     : 0.110            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 15.130           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
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      :  0.022           1885                                  
REMARK   3   ANGLE     :  1.713           2561                                  
REMARK   3   CHIRALITY :  0.103            279                                  
REMARK   3   PLANARITY :  0.010            339                                  
REMARK   3   DIHEDRAL  : 13.567            712                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 10                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 282 THROUGH 300 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  21.8959  35.1727  55.7475              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0905 T22:   0.1315                                     
REMARK   3      T33:   0.1016 T12:   0.0534                                     
REMARK   3      T13:  -0.0113 T23:  -0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3154 L22:   6.2154                                     
REMARK   3      L33:   4.3369 L12:   0.3656                                     
REMARK   3      L13:  -0.3269 L23:  -3.7412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1428 S12:  -0.1464 S13:   0.1121                       
REMARK   3      S21:   0.4426 S22:   0.1960 S23:   0.1567                       
REMARK   3      S31:  -0.2710 S32:  -0.1404 S33:  -0.0691                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 301 THROUGH 373 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  19.7595  32.6760  37.8521              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0925 T22:   0.1123                                     
REMARK   3      T33:   0.1062 T12:   0.0508                                     
REMARK   3      T13:   0.0026 T23:   0.0002                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8768 L22:   0.6380                                     
REMARK   3      L33:   1.2083 L12:  -0.1657                                     
REMARK   3      L13:   0.3546 L23:  -0.7413                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0359 S12:   0.0908 S13:  -0.0258                       
REMARK   3      S21:  -0.0885 S22:  -0.0725 S23:  -0.0585                       
REMARK   3      S31:   0.2041 S32:   0.2656 S33:   0.0015                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 374 THROUGH 390 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.8235  34.8066  37.2050              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0905 T22:   0.2643                                     
REMARK   3      T33:   0.1499 T12:   0.0216                                     
REMARK   3      T13:   0.0121 T23:   0.0437                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6843 L22:   0.4943                                     
REMARK   3      L33:   2.2004 L12:  -0.5602                                     
REMARK   3      L13:  -0.1097 L23:  -0.1367                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0535 S12:   0.1766 S13:   0.1130                       
REMARK   3      S21:  -0.0308 S22:  -0.1113 S23:  -0.1836                       
REMARK   3      S31:  -0.1065 S32:   0.6238 S33:   0.0424                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 391 THROUGH 411 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   9.3736  23.2013  43.7197              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3206 T22:   0.2752                                     
REMARK   3      T33:   0.4108 T12:   0.0011                                     
REMARK   3      T13:  -0.0182 T23:  -0.0201                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5451 L22:   1.6228                                     
REMARK   3      L33:   0.4979 L12:  -2.3055                                     
REMARK   3      L13:  -0.9785 L23:   0.6002                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0572 S12:   0.6758 S13:  -1.5591                       
REMARK   3      S21:   0.1416 S22:  -0.1057 S23:   0.7015                       
REMARK   3      S31:   0.4633 S32:  -0.2436 S33:  -0.0333                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 412 THROUGH 427 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  27.2473  36.5947  35.0809              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0702 T22:   0.1978                                     
REMARK   3      T33:   0.1181 T12:   0.0420                                     
REMARK   3      T13:  -0.0014 T23:   0.0249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2045 L22:   1.8137                                     
REMARK   3      L33:   2.5467 L12:   0.1865                                     
REMARK   3      L13:  -1.3285 L23:  -1.4026                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0931 S12:   0.2943 S13:   0.0051                       
REMARK   3      S21:  -0.1965 S22:  -0.1672 S23:  -0.1910                       
REMARK   3      S31:   0.1475 S32:   0.2547 S33:   0.0538                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 20 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.6994  41.9596  38.9628              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0721 T22:   0.1142                                     
REMARK   3      T33:   0.1315 T12:   0.0103                                     
REMARK   3      T13:  -0.0056 T23:   0.0271                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9910 L22:   1.1396                                     
REMARK   3      L33:   4.6409 L12:  -0.1382                                     
REMARK   3      L13:  -0.7012 L23:   1.1368                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0187 S12:   0.0540 S13:   0.1224                       
REMARK   3      S21:  -0.0093 S22:   0.0113 S23:   0.1278                       
REMARK   3      S31:  -0.2085 S32:  -0.1921 S33:  -0.0206                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 21 THROUGH 42 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.2058  32.6354  41.5639              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0561 T22:   0.0994                                     
REMARK   3      T33:   0.0922 T12:  -0.0133                                     
REMARK   3      T13:  -0.0115 T23:   0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4633 L22:   0.6388                                     
REMARK   3      L33:   6.7592 L12:  -0.2162                                     
REMARK   3      L13:  -2.9977 L23:   0.3715                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0526 S12:  -0.0018 S13:  -0.0626                       
REMARK   3      S21:   0.0518 S22:   0.0119 S23:   0.0513                       
REMARK   3      S31:   0.2027 S32:  -0.1568 S33:   0.0539                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 43 THROUGH 55 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.3135  30.0152  54.8058              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1777 T22:   0.1833                                     
REMARK   3      T33:   0.1822 T12:   0.0231                                     
REMARK   3      T13:   0.0219 T23:   0.0523                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3018 L22:   1.9556                                     
REMARK   3      L33:   3.5140 L12:   0.1846                                     
REMARK   3      L13:  -2.3147 L23:  -1.4391                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3092 S12:  -0.8371 S13:  -0.7251                       
REMARK   3      S21:   0.4371 S22:   0.0282 S23:   0.0895                       
REMARK   3      S31:   0.2007 S32:   0.5693 S33:   0.1942                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 56 THROUGH 86 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   8.4339  39.3910  43.0303              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0439 T22:   0.0543                                     
REMARK   3      T33:   0.0736 T12:   0.0165                                     
REMARK   3      T13:  -0.0079 T23:   0.0020                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1349 L22:   0.9224                                     
REMARK   3      L33:   2.4633 L12:   0.0619                                     
REMARK   3      L13:  -0.6023 L23:  -0.1270                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0055 S12:  -0.0071 S13:   0.0116                       
REMARK   3      S21:   0.0714 S22:   0.0198 S23:  -0.0348                       
REMARK   3      S31:  -0.0065 S32:   0.0555 S33:  -0.0224                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 87 THROUGH 94 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   4.8187  44.3756  56.6951              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2853 T22:   0.1712                                     
REMARK   3      T33:   0.1648 T12:   0.0208                                     
REMARK   3      T13:  -0.0117 T23:  -0.0219                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9080 L22:   7.2298                                     
REMARK   3      L33:   7.8593 L12:   0.8097                                     
REMARK   3      L13:   0.4827 L23:  -6.4621                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1272 S12:  -0.2902 S13:   0.4724                       
REMARK   3      S21:   0.6620 S22:  -0.3095 S23:  -0.0656                       
REMARK   3      S31:  -0.7581 S32:   0.2211 S33:   0.1256                       
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 4ZV0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAY-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000209958.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-OCT-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.2.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 69121                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.370                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 15.20                              
REMARK 200  R MERGE                    (I) : 0.08200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 33.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.37                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.61700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.63                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% (W/V) PEG 3350, 0.2M AMMONIUM        
REMARK 280  IODIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.83867            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       27.91933            
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       41.87900            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       13.95967            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       69.79833            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4050 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11390 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MSE A   268                                                      
REMARK 465     GLY A   269                                                      
REMARK 465     SER A   270                                                      
REMARK 465     SER A   271                                                      
REMARK 465     HIS A   272                                                      
REMARK 465     HIS A   273                                                      
REMARK 465     HIS A   274                                                      
REMARK 465     HIS A   275                                                      
REMARK 465     HIS A   276                                                      
REMARK 465     HIS A   277                                                      
REMARK 465     SER A   278                                                      
REMARK 465     GLN A   279                                                      
REMARK 465     ASP A   280                                                      
REMARK 465     PRO A   281                                                      
REMARK 465     VAL A   400                                                      
REMARK 465     LYS A   401                                                      
REMARK 465     GLY A   402                                                      
REMARK 465     GLN A   403                                                      
REMARK 465     SER A   404                                                      
REMARK 465     TYR A   405                                                      
REMARK 465     PRO A   406                                                      
REMARK 465     ALA A   407                                                      
REMARK 465     LYS A   408                                                      
REMARK 465     GLU A   428                                                      
REMARK 465     GLY A   429                                                      
REMARK 465     SER A   430                                                      
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     GLU A 291    CD   OE1  OE2                                       
REMARK 470     GLU B  25    CG   CD   OE1  OE2                                  
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   HZ3  LYS A   295     O    HOH A   602              1.37            
REMARK 500  HH11  ARG B    44     O    HOH B   201              1.59            
REMARK 500   O    PRO A   393     O    HOH A   601              1.87            
REMARK 500   O    HOH A   710     O    HOH A   813              1.88            
REMARK 500   O    HOH B   206     O    HOH B   309              1.92            
REMARK 500   O    HOH B   231     O    HOH B   306              1.93            
REMARK 500   O    HOH A   669     O    HOH A   795              1.94            
REMARK 500   O    HOH A   755     O    HOH B   288              1.96            
REMARK 500   O    HOH B   283     O    HOH B   314              1.97            
REMARK 500   O    HOH A   699     O    HOH A   733              2.00            
REMARK 500   O    HOH B   294     O    HOH B   301              2.03            
REMARK 500   O    HOH B   201     O    HOH B   304              2.04            
REMARK 500   O    HOH A   679     O    HOH A   776              2.07            
REMARK 500   O    HOH B   299     O    HOH B   311              2.08            
REMARK 500   O    HOH A   612     O    HOH A   658              2.13            
REMARK 500   O    HOH B   317     O    HOH B   325              2.14            
REMARK 500   O    HOH B   219     O    HOH B   282              2.14            
REMARK 500   NH1  ARG B    44     O    HOH B   201              2.14            
REMARK 500   O    HOH B   317     O    HOH B   337              2.15            
REMARK 500   O    HOH B   331     O    HOH B   334              2.16            
REMARK 500   O    HOH A   614     O    HOH A   700              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   744     O    HOH A   764     4665     2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    ARG A 287   CG    ARG A 287   CD      0.191                       
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    ARG A 287   CD  -  NE  -  CZ  ANGL. DEV. =  10.2 DEGREES          
REMARK 500    ARG A 287   NE  -  CZ  -  NH1 ANGL. DEV. =  11.5 DEGREES          
REMARK 500    ARG A 287   NE  -  CZ  -  NH2 ANGL. DEV. =  -6.8 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    ASP B  68       72.01   -151.76                                   
REMARK 500    ASP B  92       55.35    -96.69                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 825        DISTANCE =  5.87 ANGSTROMS                       
REMARK 525    HOH B 341        DISTANCE =  6.19 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD A 501                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD A 502                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD A 504                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD B 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD B 102                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD B 103                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IOD B 105                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4ZUY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4ZV4   RELATED DB: PDB                                   
DBREF  4ZV0 A  282   430  UNP    Q9I739   Q9I739_PSEAE   282    430             
DBREF  4ZV0 B    2    94  UNP    Q9I740   Q9I740_PSEAE     2     94             
SEQADV 4ZV0 MSE A  268  UNP  Q9I739              INITIATING METHIONINE          
SEQADV 4ZV0 GLY A  269  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 SER A  270  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 SER A  271  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  272  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  273  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  274  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  275  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  276  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 HIS A  277  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 SER A  278  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 GLN A  279  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 ASP A  280  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 PRO A  281  UNP  Q9I739              EXPRESSION TAG                 
SEQADV 4ZV0 MSE B    1  UNP  Q9I740              INITIATING METHIONINE          
SEQRES   1 A  163  MSE GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 A  163  PRO HIS ASP ILE ASN TYR ARG GLY ASN ARG GLU THR ALA          
SEQRES   3 A  163  ALA LYS PHE PHE LYS SER LYS ASP ILE ASP PRO ALA ASP          
SEQRES   4 A  163  ALA GLU SER TYR MSE ASN GLY LEU ASP PHE ASN HIS PRO          
SEQRES   5 A  163  VAL ARG VAL GLU THR LEU ALA PRO GLY LYS ASN LEU TRP          
SEQRES   6 A  163  GLN TYR GLN SER PRO GLY ALA PRO GLN GLY ASN TRP TYR          
SEQRES   7 A  163  THR LEU SER PRO ARG VAL GLN PRO THR GLU LEU GLY ILE          
SEQRES   8 A  163  ASN PRO MSE GLY THR ASN ARG ALA ALA ASN THR ILE GLU          
SEQRES   9 A  163  PRO LYS VAL LEU ASN SER TYR ARG THR THR GLN LYS VAL          
SEQRES  10 A  163  GLU VAL LEU ARG SER THR ALA ALA PRO THR ASP ASP PHE          
SEQRES  11 A  163  TRP SER VAL LYS GLY GLN SER TYR PRO ALA LYS GLY GLY          
SEQRES  12 A  163  ALA GLN GLN LEU PHE SER ASN GLU LYS GLY SER PHE GLY          
SEQRES  13 A  163  LEU LEU PRO ARG GLU GLY SER                                  
SEQRES   1 B   94  MSE THR PRO ILE GLU TYR ILE ASP ARG ALA LEU ALA LEU          
SEQRES   2 B   94  VAL VAL ASP ARG LEU ALA ARG TYR PRO GLY TYR GLU VAL          
SEQRES   3 B   94  LEU LEU SER ALA GLU LYS GLN LEU GLN TYR ILE ARG SER          
SEQRES   4 B   94  VAL LEU LEU ASP ARG SER LEU ASP ARG SER ALA LEU HIS          
SEQRES   5 B   94  ARG LEU THR LEU GLY SER ILE ALA VAL LYS GLU PHE ASP          
SEQRES   6 B   94  GLU THR ASP PRO GLU LEU SER ARG ALA LEU LYS ASP ALA          
SEQRES   7 B   94  TYR TYR VAL GLY ILE ARG THR GLY ARG GLY LEU LYS VAL          
SEQRES   8 B   94  ASP LEU PRO                                                  
MODRES 4ZV0 MSE A  311  MET  MODIFIED RESIDUE                                   
MODRES 4ZV0 MSE A  361  MET  MODIFIED RESIDUE                                   
HET    MSE  A 311       9                                                       
HET    MSE  A 361      17                                                       
HET    MSE  B   1      19                                                       
HET    IOD  A 501       1                                                       
HET    IOD  A 502       1                                                       
HET    IOD  A 503       1                                                       
HET    IOD  A 504       1                                                       
HET    IOD  A 505       1                                                       
HET    IOD  B 101       1                                                       
HET    IOD  B 102       1                                                       
HET    IOD  B 103       1                                                       
HET    IOD  B 104       1                                                       
HET    IOD  B 105       1                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM     IOD IODIDE ION                                                       
FORMUL   1  MSE    3(C5 H11 N O2 SE)                                            
FORMUL   3  IOD    10(I 1-)                                                     
FORMUL  13  HOH   *366(H2 O)                                                    
HELIX    1 AA1 ASP A  283  LYS A  300  1                                  18    
HELIX    2 AA2 ASP A  303  GLY A  313  1                                  11    
HELIX    3 AA3 PRO A  353  GLY A  357  5                                   5    
HELIX    4 AA4 GLU A  418  GLY A  420  5                                   3    
HELIX    5 AA5 THR B    2  TYR B   21  1                                  20    
HELIX    6 AA6 TYR B   24  ASP B   43  1                                  20    
HELIX    7 AA7 ARG B   48  LEU B   54  5                                   7    
HELIX    8 AA8 THR B   55  PHE B   64  1                                  10    
HELIX    9 AA9 ASP B   68  ARG B   87  1                                  20    
SHEET    1 AA1 4 ARG A 321  LEU A 325  0                                        
SHEET    2 AA1 4 VAL A 384  THR A 390 -1  O  ARG A 388   N  ARG A 321           
SHEET    3 AA1 4 GLN A 412  PHE A 415 -1  O  GLN A 413   N  SER A 389           
SHEET    4 AA1 4 TRP A 344  TYR A 345 -1  N  TYR A 345   O  LEU A 414           
SHEET    1 AA2 3 ASN A 330  GLN A 335  0                                        
SHEET    2 AA2 3 VAL A 374  THR A 380 -1  O  VAL A 374   N  GLN A 335           
SHEET    3 AA2 3 PHE A 422  LEU A 424 -1  O  GLY A 423   N  ARG A 379           
SHEET    1 AA3 2 MSE A 361  ASN A 364  0                                        
SHEET    2 AA3 2 THR A 369  PRO A 372 -1  O  GLU A 371   N  GLY A 362           
LINK         C   TYR A 310                 N   MSE A 311     1555   1555  1.31  
LINK         C   MSE A 311                 N   ASN A 312     1555   1555  1.32  
LINK         C   PRO A 360                 N   MSE A 361     1555   1555  1.33  
LINK         C   MSE A 361                 N   GLY A 362     1555   1555  1.34  
LINK         C   MSE B   1                 N   THR B   2     1555   1555  1.33  
SITE     1 AC1  2 ASN A 289  GLN B  35                                          
SITE     1 AC2  1 HOH A 820                                                     
SITE     1 AC3  2 GLN A 412  HOH B 276                                          
SITE     1 AC4  1 ARG B  20                                                     
SITE     1 AC5  3 GLY A 410  HOH A 776  HOH B 271                               
SITE     1 AC6  3 HOH A 655  GLU B  25  HOH B 320                               
SITE     1 AC7  2 LYS B  76  HOH B 247                                          
CRYST1   83.209   83.209   83.758  90.00  90.00 120.00 P 65          6          
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      0.012018  0.006939  0.000000        0.00000                         
SCALE2      0.000000  0.013877  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011939        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system