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Entry: 5HT6
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HEADER    TRANSFERASE                             26-JAN-16   5HT6              
TITLE     CRYSTAL STRUCTURE OF THE SET DOMAIN OF THE HUMAN MLL5                 
TITLE    2 METHYLTRANSFERASE                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE 2E;                     
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 323-458;                                      
COMPND   5 SYNONYM: LYSINE N-METHYLTRANSFERASE 2E,MYELOID/LYMPHOID OR MIXED-    
COMPND   6 LINEAGE LEUKEMIA PROTEIN 5;                                          
COMPND   7 EC: 2.1.1.43;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: KMT2E, MLL5;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    SET DOMAIN, TRANSFERASE                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.LE MAIRE,S.MAS-Y-MAS,C.DUMAS,A.LEBEDEV                              
REVDAT   1   16-NOV-16 5HT6    0                                                
JRNL        AUTH   S.MAS-Y-MAS,M.BARBON,C.TEYSSIER,H.DEMENE,J.E.CARVALHO,       
JRNL        AUTH 2 L.E.BIRD,A.LEBEDEV,J.FATTORI,M.SCHUBERT,C.DUMAS,W.BOURGUET,  
JRNL        AUTH 3 A.LE MAIRE                                                   
JRNL        TITL   THE HUMAN MIXED LINEAGE LEUKEMIA 5 (MLL5), A SEQUENTIALLY    
JRNL        TITL 2 AND STRUCTURALLY DIVERGENT SET DOMAIN-CONTAINING PROTEIN     
JRNL        TITL 3 WITH NO INTRINSIC CATALYTIC ACTIVITY.                        
JRNL        REF    PLOS ONE                      V.  11 65139 2016              
JRNL        REFN                   ESSN 1932-6203                               
JRNL        PMID   27812132                                                     
JRNL        DOI    10.1371/JOURNAL.PONE.0165139                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.09 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) : 2.09                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.93                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 17250                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.212                           
REMARK   3   R VALUE            (WORKING SET) : 0.209                           
REMARK   3   FREE R VALUE                     : 0.242                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 7.570                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1306                            
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 50.9484 -  4.3525    1.00     1885   158  0.1901 0.2080        
REMARK   3     2  4.3525 -  3.4549    1.00     1797   159  0.1788 0.2066        
REMARK   3     3  3.4549 -  3.0183    1.00     1748   186  0.2149 0.2520        
REMARK   3     4  3.0183 -  2.7423    1.00     1766   137  0.2269 0.2603        
REMARK   3     5  2.7423 -  2.5458    1.00     1784   132  0.2290 0.2750        
REMARK   3     6  2.5458 -  2.3957    1.00     1742   144  0.2391 0.3242        
REMARK   3     7  2.3957 -  2.2757    1.00     1770   127  0.2517 0.3561        
REMARK   3     8  2.2757 -  2.1766    1.00     1747   118  0.2526 0.2775        
REMARK   3     9  2.1766 -  2.0928    0.97     1705   145  0.2667 0.3435        
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)     : 0.280            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.120           
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      :  0.004           1988                                  
REMARK   3   ANGLE     :  0.841           2676                                  
REMARK   3   CHIRALITY :  0.031            274                                  
REMARK   3   PLANARITY :  0.005            343                                  
REMARK   3   DIHEDRAL  : 13.084            747                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 21                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 24 THROUGH 42 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  17.3238 -20.0689  30.2266              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8227 T22:   0.8808                                     
REMARK   3      T33:   0.8190 T12:  -0.2079                                     
REMARK   3      T13:   0.1985 T23:   0.1936                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7391 L22:   2.7249                                     
REMARK   3      L33:   7.1879 L12:  -0.7673                                     
REMARK   3      L13:   2.2312 L23:  -1.2043                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7875 S12:  -0.5659 S13:  -1.3779                       
REMARK   3      S21:   0.9614 S22:   0.4498 S23:   0.8801                       
REMARK   3      S31:   0.7013 S32:  -1.9588 S33:   0.1054                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 43 THROUGH 50 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  30.9049 -23.1149  26.2121              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9847 T22:  -0.0367                                     
REMARK   3      T33:   0.6846 T12:   0.3919                                     
REMARK   3      T13:   0.4761 T23:   0.0335                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5346 L22:   1.2806                                     
REMARK   3      L33:   0.9555 L12:  -2.1313                                     
REMARK   3      L13:  -1.1740 L23:   0.6808                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5180 S12:  -0.4133 S13:  -0.6630                       
REMARK   3      S21:   0.3960 S22:  -0.1062 S23:   0.2421                       
REMARK   3      S31:   0.7879 S32:   0.0628 S33:  -0.0630                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 51 THROUGH 57 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  20.1654 -14.5878  19.1111              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4692 T22:   0.2686                                     
REMARK   3      T33:   0.5106 T12:  -0.1666                                     
REMARK   3      T13:   0.0334 T23:  -0.0842                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.7971 L22:   4.5517                                     
REMARK   3      L33:   5.1143 L12:  -5.9643                                     
REMARK   3      L13:  -0.8416 L23:  -1.0221                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0193 S12:   0.4956 S13:  -0.8698                       
REMARK   3      S21:  -0.3321 S22:  -0.0584 S23:   1.1215                       
REMARK   3      S31:   0.9758 S32:  -0.4571 S33:   0.0130                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 58 THROUGH 67 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  15.2659   3.1225  15.7706              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3013 T22:   0.5317                                     
REMARK   3      T33:   0.5631 T12:   0.1257                                     
REMARK   3      T13:   0.0197 T23:   0.0661                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3161 L22:   6.6713                                     
REMARK   3      L33:   8.8797 L12:  -3.3756                                     
REMARK   3      L13:  -2.5418 L23:   1.0112                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5955 S12:   1.2249 S13:   0.1454                       
REMARK   3      S21:  -0.4971 S22:  -0.7106 S23:   0.6796                       
REMARK   3      S31:  -0.8978 S32:  -1.4219 S33:   0.0857                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 68 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  13.6906   2.5154  25.0091              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4189 T22:   0.6202                                     
REMARK   3      T33:   0.4086 T12:   0.1294                                     
REMARK   3      T13:   0.1465 T23:  -0.0396                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8815 L22:   4.7887                                     
REMARK   3      L33:   6.5855 L12:  -0.5002                                     
REMARK   3      L13:  -0.2214 L23:  -3.0361                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2404 S12:   0.0542 S13:   0.3014                       
REMARK   3      S21:   0.7951 S22:   0.2014 S23:   0.9254                       
REMARK   3      S31:  -0.7421 S32:  -1.7778 S33:   0.0154                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 79 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  25.1905  -0.7324  18.0104              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1592 T22:   0.2718                                     
REMARK   3      T33:   0.3324 T12:  -0.0417                                     
REMARK   3      T13:   0.0187 T23:   0.0019                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3312 L22:   4.3205                                     
REMARK   3      L33:   7.1620 L12:  -0.4929                                     
REMARK   3      L13:  -1.5529 L23:  -0.3836                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2778 S12:  -0.2685 S13:   0.3531                       
REMARK   3      S21:   0.0857 S22:  -0.0888 S23:   0.2517                       
REMARK   3      S31:  -0.2228 S32:   0.1036 S33:  -0.0922                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 90 THROUGH 99 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  13.0905  -7.0014  19.0781              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2628 T22:   0.7625                                     
REMARK   3      T33:   0.7614 T12:  -0.1781                                     
REMARK   3      T13:   0.0815 T23:  -0.0779                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2506 L22:   7.6825                                     
REMARK   3      L33:   4.1996 L12:   1.4209                                     
REMARK   3      L13:   0.0354 L23:  -0.5500                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2611 S12:  -0.3446 S13:  -0.3073                       
REMARK   3      S21:  -0.0463 S22:  -0.3375 S23:   1.4393                       
REMARK   3      S31:   0.2538 S32:  -2.0115 S33:   0.0815                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 100 THROUGH 111 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  21.5549 -11.0593  30.5149              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4834 T22:   0.3183                                     
REMARK   3      T33:   0.3272 T12:  -0.0358                                     
REMARK   3      T13:   0.1288 T23:   0.0753                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9337 L22:   3.9068                                     
REMARK   3      L33:   6.1965 L12:  -0.9866                                     
REMARK   3      L13:   1.5697 L23:   0.3299                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3363 S12:  -0.2225 S13:  -0.1803                       
REMARK   3      S21:   0.5370 S22:   0.1717 S23:   0.5859                       
REMARK   3      S31:   1.1430 S32:  -0.4788 S33:   0.1334                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 112 THROUGH 119 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  27.9787 -10.6181  15.9923              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3290 T22:   0.2226                                     
REMARK   3      T33:   0.2845 T12:   0.0211                                     
REMARK   3      T13:  -0.0138 T23:  -0.0386                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1480 L22:   5.4180                                     
REMARK   3      L33:   1.4596 L12:  -1.1140                                     
REMARK   3      L13:  -1.8748 L23:  -1.2639                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1524 S12:   0.4634 S13:  -0.7204                       
REMARK   3      S21:  -0.1612 S22:  -0.0805 S23:   0.2426                       
REMARK   3      S31:   1.2310 S32:   0.3080 S33:   0.1037                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 120 THROUGH 139 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  26.4368 -15.5311  22.6720              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5608 T22:   0.2097                                     
REMARK   3      T33:   0.2873 T12:   0.0896                                     
REMARK   3      T13:   0.0235 T23:  -0.0359                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6884 L22:   5.5110                                     
REMARK   3      L33:   4.5328 L12:  -1.2827                                     
REMARK   3      L13:   0.3492 L23:  -2.1877                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1993 S12:  -0.0206 S13:  -0.5791                       
REMARK   3      S21:   0.3102 S22:   0.3172 S23:   0.4769                       
REMARK   3      S31:   1.2262 S32:   0.1389 S33:  -0.1688                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 140 THROUGH 149 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  23.9634  -1.0651  31.5384              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4378 T22:   0.3098                                     
REMARK   3      T33:   0.3217 T12:  -0.0139                                     
REMARK   3      T13:   0.0069 T23:   0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8488 L22:   7.8398                                     
REMARK   3      L33:   4.1854 L12:  -1.1083                                     
REMARK   3      L13:  -1.2649 L23:   5.4160                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3793 S12:  -0.0924 S13:   0.1550                       
REMARK   3      S21:   0.5107 S22:   0.7178 S23:  -0.0160                       
REMARK   3      S31:  -0.3407 S32:   0.1699 S33:  -0.2875                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 150 THROUGH 154 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  32.0516   8.2523  32.8661              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6013 T22:   0.5403                                     
REMARK   3      T33:   0.4944 T12:  -0.1861                                     
REMARK   3      T13:  -0.1437 T23:   0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9127 L22:   7.1775                                     
REMARK   3      L33:   2.0482 L12:  -1.1776                                     
REMARK   3      L13:   1.2520 L23:   0.7738                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4971 S12:   0.5148 S13:  -0.8975                       
REMARK   3      S21:  -0.0714 S22:   0.1797 S23:  -0.3397                       
REMARK   3      S31:   0.1170 S32:   0.9275 S33:  -0.7674                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 37 THROUGH 50 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  27.5121  21.9138  -8.3893              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8450 T22:   0.4594                                     
REMARK   3      T33:   0.4143 T12:   0.1379                                     
REMARK   3      T13:   0.1420 T23:   0.0834                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5308 L22:   6.3300                                     
REMARK   3      L33:   5.5089 L12:   1.7066                                     
REMARK   3      L13:   1.3663 L23:  -2.2008                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5047 S12:   0.5408 S13:   0.0896                       
REMARK   3      S21:  -0.1860 S22:   0.4528 S23:   0.4827                       
REMARK   3      S31:   0.2121 S32:  -0.3902 S33:   0.0406                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 51 THROUGH 57 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  23.1521  15.8856   1.4821              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6655 T22:   0.3706                                     
REMARK   3      T33:   0.5094 T12:   0.3174                                     
REMARK   3      T13:   0.1626 T23:   0.1756                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6847 L22:   5.6509                                     
REMARK   3      L33:   4.2740 L12:   4.3386                                     
REMARK   3      L13:  -1.0335 L23:  -3.5120                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3001 S12:  -0.6021 S13:   0.3018                       
REMARK   3      S21:   0.0091 S22:   0.4887 S23:   1.2258                       
REMARK   3      S31:  -0.8335 S32:  -0.5775 S33:  -0.3726                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 58 THROUGH 66 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7905   0.0459   5.0840              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5563 T22:   0.8354                                     
REMARK   3      T33:   0.9803 T12:  -0.0728                                     
REMARK   3      T13:  -0.2502 T23:   0.1944                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7931 L22:   2.1466                                     
REMARK   3      L33:   7.6509 L12:   1.0847                                     
REMARK   3      L13:   0.3817 L23:  -3.1740                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6151 S12:  -0.3678 S13:  -0.8454                       
REMARK   3      S21:  -0.6837 S22:   0.7755 S23:   0.9805                       
REMARK   3      S31:   1.2373 S32:  -1.9954 S33:  -0.9618                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 67 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0838   0.8139  -3.3788              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9768 T22:   1.3861                                     
REMARK   3      T33:   1.0471 T12:  -0.0667                                     
REMARK   3      T13:  -0.3883 T23:   0.2229                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3115 L22:   3.1960                                     
REMARK   3      L33:   3.5883 L12:   0.3459                                     
REMARK   3      L13:   0.0575 L23:  -2.7728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2225 S12:   0.2946 S13:   0.2185                       
REMARK   3      S21:  -0.8567 S22:  -0.3315 S23:   1.0485                       
REMARK   3      S31:   0.1982 S32:  -1.4776 S33:   0.0204                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 79 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  24.5698   1.2947   1.7002              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4964 T22:   0.3877                                     
REMARK   3      T33:   0.3491 T12:   0.0601                                     
REMARK   3      T13:  -0.0509 T23:   0.0525                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4627 L22:   7.5988                                     
REMARK   3      L33:   5.8431 L12:  -1.8454                                     
REMARK   3      L13:   0.0564 L23:  -3.8720                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0973 S12:   0.4608 S13:  -0.0268                       
REMARK   3      S21:  -1.7431 S22:   0.0556 S23:   0.2740                       
REMARK   3      S31:   0.8595 S32:  -0.6488 S33:  -0.1427                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 90 THROUGH 103 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  14.9027  12.2847   0.2201              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7111 T22:   1.0350                                     
REMARK   3      T33:   0.6193 T12:   0.5468                                     
REMARK   3      T13:  -0.1901 T23:   0.2921                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7622 L22:   3.7720                                     
REMARK   3      L33:   1.5356 L12:  -0.8750                                     
REMARK   3      L13:   0.4854 L23:  -2.4121                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0123 S12:  -0.2616 S13:   0.0118                       
REMARK   3      S21:  -0.6002 S22:   0.0324 S23:   0.5777                       
REMARK   3      S31:  -0.7148 S32:  -1.3102 S33:  -0.3303                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 104 THROUGH 119 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  27.4290  10.6237  -4.4633              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1253 T22:   0.3751                                     
REMARK   3      T33:   0.3884 T12:   0.1249                                     
REMARK   3      T13:   0.1273 T23:   0.1071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1419 L22:   2.6521                                     
REMARK   3      L33:   4.9878 L12:   1.2413                                     
REMARK   3      L13:  -0.1533 L23:  -3.1234                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1092 S12:   0.3346 S13:   0.3383                       
REMARK   3      S21:  -1.2705 S22:  -0.0409 S23:   0.2196                       
REMARK   3      S31:  -0.3181 S32:  -0.6837 S33:  -0.1234                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 120 THROUGH 139 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  28.8950  15.8622  -2.7744              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7992 T22:   0.2187                                     
REMARK   3      T33:   0.3335 T12:   0.1881                                     
REMARK   3      T13:   0.1785 T23:   0.0511                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3500 L22:   5.0437                                     
REMARK   3      L33:   2.7257 L12:   1.3014                                     
REMARK   3      L13:  -0.6128 L23:  -3.6554                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3238 S12:   0.0066 S13:   0.2499                       
REMARK   3      S21:  -0.1416 S22:   0.3159 S23:   0.2157                       
REMARK   3      S31:  -1.0075 S32:  -0.5375 S33:  -0.3529                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 140 THROUGH 145 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  23.9455   5.1834 -10.3361              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.9022 T22:   0.6789                                     
REMARK   3      T33:   0.5921 T12:  -0.0202                                     
REMARK   3      T13:  -0.2201 T23:   0.0317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9009 L22:   2.9439                                     
REMARK   3      L33:   1.8160 L12:  -3.5503                                     
REMARK   3      L13:   2.3695 L23:  -0.5897                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7374 S12:   0.4118 S13:  -1.4263                       
REMARK   3      S21:  -1.5874 S22:   0.4451 S23:   0.6471                       
REMARK   3      S31:   1.8525 S32:  -1.1271 S33:  -0.9716                       
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 5HT6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-JAN-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000213377.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-JUL-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID29                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.07245                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : PSI PILATUS 6M                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA 3.3.21                       
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 17289                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.093                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 57.174                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 8.000                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.05700                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 22.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.21                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 8.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.39000                            
REMARK 200  R SYM FOR SHELL            (I) : 0.39000                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 44.01                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M NH4CL, 12 % (W/V) PEG 3350, VAPOR   
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       37.63333            
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       75.26667            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  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        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       75.26667            
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       37.63333            
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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     GLY A    18                                                      
REMARK 465     PRO A    19                                                      
REMARK 465     THR A    20                                                      
REMARK 465     ASN A    21                                                      
REMARK 465     ASN A    22                                                      
REMARK 465     LEU A    23                                                      
REMARK 465     VAL A    29                                                      
REMARK 465     GLU A    30                                                      
REMARK 465     SER A    31                                                      
REMARK 465     HIS A    32                                                      
REMARK 465     ILE A    33                                                      
REMARK 465     GLN A    34                                                      
REMARK 465     LYS A    35                                                      
REMARK 465     ASN A    36                                                      
REMARK 465     ASP A   155                                                      
REMARK 465     GLY B    18                                                      
REMARK 465     PRO B    19                                                      
REMARK 465     THR B    20                                                      
REMARK 465     ASN B    21                                                      
REMARK 465     ASN B    22                                                      
REMARK 465     LEU B    23                                                      
REMARK 465     LEU B    24                                                      
REMARK 465     PHE B    25                                                      
REMARK 465     LYS B    26                                                      
REMARK 465     PRO B    27                                                      
REMARK 465     PRO B    28                                                      
REMARK 465     VAL B    29                                                      
REMARK 465     GLU B    30                                                      
REMARK 465     SER B    31                                                      
REMARK 465     HIS B    32                                                      
REMARK 465     ILE B    33                                                      
REMARK 465     GLN B    34                                                      
REMARK 465     LYS B    35                                                      
REMARK 465     ASN B    36                                                      
REMARK 465     ASP B   146                                                      
REMARK 465     TYR B   147                                                      
REMARK 465     GLY B   148                                                      
REMARK 465     ASN B   149                                                      
REMARK 465     ALA B   150                                                      
REMARK 465     LYS B   151                                                      
REMARK 465     TYR B   152                                                      
REMARK 465     LYS B   153                                                      
REMARK 465     VAL B   154                                                      
REMARK 465     ASP B   155                                                      
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   NH1  ARG A   115     O    HOH A   201              2.12            
REMARK 500   OH   TYR A   128     O    HOH A   202              2.19            
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 A  45       77.43    -53.76                                   
REMARK 500    ASN A  99     -158.21   -123.95                                   
REMARK 500    TYR B  70     -102.84   -124.33                                   
REMARK 500    PHE B  71     -135.41    160.68                                   
REMARK 500    PRO B  75       83.57    -54.97                                   
REMARK 500    ASN B  99     -160.37   -114.29                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5HT6 A   20   155  UNP    Q8IZD2   KMT2E_HUMAN    323    458             
DBREF  5HT6 B   20   155  UNP    Q8IZD2   KMT2E_HUMAN    323    458             
SEQADV 5HT6 GLY A   18  UNP  Q8IZD2              EXPRESSION TAG                 
SEQADV 5HT6 PRO A   19  UNP  Q8IZD2              EXPRESSION TAG                 
SEQADV 5HT6 ALA A  150  UNP  Q8IZD2    CYS   453 ENGINEERED MUTATION            
SEQADV 5HT6 GLY B   18  UNP  Q8IZD2              EXPRESSION TAG                 
SEQADV 5HT6 PRO B   19  UNP  Q8IZD2              EXPRESSION TAG                 
SEQADV 5HT6 ALA B  150  UNP  Q8IZD2    CYS   453 ENGINEERED MUTATION            
SEQRES   1 A  138  GLY PRO THR ASN ASN LEU LEU PHE LYS PRO PRO VAL GLU          
SEQRES   2 A  138  SER HIS ILE GLN LYS ASN LYS LYS ILE LEU LYS SER ALA          
SEQRES   3 A  138  LYS ASP LEU PRO PRO ASP ALA LEU ILE ILE GLU TYR ARG          
SEQRES   4 A  138  GLY LYS PHE MET LEU ARG GLU GLN PHE GLU ALA ASN GLY          
SEQRES   5 A  138  TYR PHE PHE LYS ARG PRO TYR PRO PHE VAL LEU PHE TYR          
SEQRES   6 A  138  SER LYS PHE HIS GLY LEU GLU MET CYS VAL ASP ALA ARG          
SEQRES   7 A  138  THR PHE GLY ASN GLU ALA ARG PHE ILE ARG ARG SER CYS          
SEQRES   8 A  138  THR PRO ASN ALA GLU VAL ARG HIS GLU ILE GLN ASP GLY          
SEQRES   9 A  138  THR ILE HIS LEU TYR ILE TYR SER ILE HIS SER ILE PRO          
SEQRES  10 A  138  LYS GLY THR GLU ILE THR ILE ALA PHE ASP PHE ASP TYR          
SEQRES  11 A  138  GLY ASN ALA LYS TYR LYS VAL ASP                              
SEQRES   1 B  138  GLY PRO THR ASN ASN LEU LEU PHE LYS PRO PRO VAL GLU          
SEQRES   2 B  138  SER HIS ILE GLN LYS ASN LYS LYS ILE LEU LYS SER ALA          
SEQRES   3 B  138  LYS ASP LEU PRO PRO ASP ALA LEU ILE ILE GLU TYR ARG          
SEQRES   4 B  138  GLY LYS PHE MET LEU ARG GLU GLN PHE GLU ALA ASN GLY          
SEQRES   5 B  138  TYR PHE PHE LYS ARG PRO TYR PRO PHE VAL LEU PHE TYR          
SEQRES   6 B  138  SER LYS PHE HIS GLY LEU GLU MET CYS VAL ASP ALA ARG          
SEQRES   7 B  138  THR PHE GLY ASN GLU ALA ARG PHE ILE ARG ARG SER CYS          
SEQRES   8 B  138  THR PRO ASN ALA GLU VAL ARG HIS GLU ILE GLN ASP GLY          
SEQRES   9 B  138  THR ILE HIS LEU TYR ILE TYR SER ILE HIS SER ILE PRO          
SEQRES  10 B  138  LYS GLY THR GLU ILE THR ILE ALA PHE ASP PHE ASP TYR          
SEQRES  11 B  138  GLY ASN ALA LYS TYR LYS VAL ASP                              
FORMUL   3  HOH   *80(H2 O)                                                     
HELIX    1 AA1 ARG A   62  ASN A   68  1                                   7    
HELIX    2 AA2 ASN A   99  ILE A  104  5                                   6    
HELIX    3 AA3 ARG B   62  ASN B   68  1                                   7    
HELIX    4 AA4 ASN B   99  ILE B  104  5                                   6    
SHEET    1 AA1 2 PHE A  25  LYS A  26  0                                        
SHEET    2 AA1 2 LYS A  41  SER A  42 -1  O  LYS A  41   N  LYS A  26           
SHEET    1 AA2 3 LEU A  51  GLU A  54  0                                        
SHEET    2 AA2 3 THR A 122  SER A 129 -1  O  ILE A 127   N  ILE A  53           
SHEET    3 AA2 3 ALA A 112  GLN A 119 -1  N  GLN A 119   O  THR A 122           
SHEET    1 AA3 3 LYS A  58  LEU A  61  0                                        
SHEET    2 AA3 3 MET A  90  ASP A  93 -1  O  ASP A  93   N  LYS A  58           
SHEET    3 AA3 3 VAL A  79  TYR A  82 -1  N  LEU A  80   O  VAL A  92           
SHEET    1 AA4 2 ARG A 105  ARG A 106  0                                        
SHEET    2 AA4 2 THR A 140  ILE A 141  1  O  ILE A 141   N  ARG A 105           
SHEET    1 AA5 3 LEU B  51  GLU B  54  0                                        
SHEET    2 AA5 3 THR B 122  SER B 129 -1  O  ILE B 127   N  ILE B  53           
SHEET    3 AA5 3 ALA B 112  GLN B 119 -1  N  ARG B 115   O  TYR B 126           
SHEET    1 AA6 3 LYS B  58  LEU B  61  0                                        
SHEET    2 AA6 3 MET B  90  ASP B  93 -1  O  CYS B  91   N  MET B  60           
SHEET    3 AA6 3 VAL B  79  TYR B  82 -1  N  LEU B  80   O  VAL B  92           
SHEET    1 AA7 2 ARG B 105  ARG B 106  0                                        
SHEET    2 AA7 2 THR B 140  ILE B 141  1  O  ILE B 141   N  ARG B 105           
CRYST1   65.900   65.900  112.900  90.00  90.00 120.00 P 31 2 1     12          
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      0.015175  0.008761  0.000000        0.00000                         
SCALE2      0.000000  0.017522  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008857        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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