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Database: PDB
Entry: 5F59
LinkDB: 5F59
Original site: 5F59 
HEADER    TRANSFERASE                             04-DEC-15   5F59              
TITLE     THE CRYSTAL STRUCTURE OF MLL3 SET DOMAIN                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE 2C;                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: MLL3 SET DOMAIN (UNP RESIDUES 4757-4910);                  
COMPND   5 SYNONYM: LYSINE N-METHYLTRANSFERASE 2C,HOMOLOGOUS TO ALR PROTEIN,    
COMPND   6 MYELOID/LYMPHOID OR MIXED-LINEAGE LEUKEMIA PROTEIN 3;                
COMPND   7 EC: 2.1.1.43;                                                        
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: KMT2C, HALR, KIAA1506, MLL3;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA;                                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28B-SUMO                               
KEYWDS    HISTONE METHYLATION, HISTONE METHYLTRANSFERASE, SET DOMAIN,           
KEYWDS   2 TRANSFERASE                                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.LI,M.LEI,Y.CHEN                                                     
REVDAT   2   20-APR-16 5F59    1       JRNL                                     
REVDAT   1   24-FEB-16 5F59    0                                                
JRNL        AUTH   Y.LI,J.HAN,Y.ZHANG,F.CAO,Z.LIU,S.LI,J.WU,C.HU,Y.WANG,        
JRNL        AUTH 2 J.SHUAI,J.CHEN,L.CAO,D.LI,P.SHI,C.TIAN,J.ZHANG,Y.DOU,G.LI,   
JRNL        AUTH 3 Y.CHEN,M.LEI                                                 
JRNL        TITL   STRUCTURAL BASIS FOR ACTIVITY REGULATION OF MLL FAMILY       
JRNL        TITL 2 METHYLTRANSFERASES.                                          
JRNL        REF    NATURE                        V. 530   447 2016              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        PMID   26886794                                                     
JRNL        DOI    10.1038/NATURE16952                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.80 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) : 2.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.91                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 9521                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.184                           
REMARK   3   R VALUE            (WORKING SET) : 0.180                           
REMARK   3   FREE R VALUE                     : 0.229                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.430                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 898                             
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 38.9156 -  5.0865    1.00     1543   170  0.2055 0.2335        
REMARK   3     2  5.0865 -  4.0386    1.00     1457   146  0.1519 0.1902        
REMARK   3     3  4.0386 -  3.5285    1.00     1427   147  0.1581 0.2166        
REMARK   3     4  3.5285 -  3.2061    1.00     1417   140  0.1849 0.2426        
REMARK   3     5  3.2061 -  2.9764    1.00     1383   156  0.1979 0.2529        
REMARK   3     6  2.9764 -  2.8009    1.00     1396   139  0.2065 0.2948        
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)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.910           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 39.44                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.06                          
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      :  0.011           1253                                  
REMARK   3   ANGLE     :  1.039           1680                                  
REMARK   3   CHIRALITY :  0.042            179                                  
REMARK   3   PLANARITY :  0.004            211                                  
REMARK   3   DIHEDRAL  : 15.750            479                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 5F59 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-DEC-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000216047.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 31-MAY-14; 29-MAY-14               
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : SSRF; SSRF                         
REMARK 200  BEAMLINE                       : BL17U; BL17U                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL; M                            
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.2818; 0.9793                     
REMARK 200  MONOCHROMATOR                  : NULL; SI(111)                      
REMARK 200  OPTICS                         : NULL; NULL                         
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R; ADSC QUANTUM    
REMARK 200                                   315R                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9555                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.800                              
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                : 10.10                              
REMARK 200  R MERGE                    (I) : 0.13500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.1000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 10.60                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.53000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 7.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL; SINGLE WAVELENGTH                        
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SHARP                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 75.27                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.97                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM TRIS-HCL, PH8.5, 3M NACL, VAPOR   
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 277K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 3 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z+1/2,-X+1/2,-Y                                         
REMARK 290       7555   -Z+1/2,-X,Y+1/2                                         
REMARK 290       8555   -Z,X+1/2,-Y+1/2                                         
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      11555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      12555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      13555   Y+3/4,X+1/4,-Z+1/4                                      
REMARK 290      14555   -Y+3/4,-X+3/4,-Z+3/4                                    
REMARK 290      15555   Y+1/4,-X+1/4,Z+3/4                                      
REMARK 290      16555   -Y+1/4,X+3/4,Z+1/4                                      
REMARK 290      17555   X+3/4,Z+1/4,-Y+1/4                                      
REMARK 290      18555   -X+1/4,Z+3/4,Y+1/4                                      
REMARK 290      19555   -X+3/4,-Z+3/4,-Y+3/4                                    
REMARK 290      20555   X+1/4,-Z+1/4,Y+3/4                                      
REMARK 290      21555   Z+3/4,Y+1/4,-X+1/4                                      
REMARK 290      22555   Z+1/4,-Y+1/4,X+3/4                                      
REMARK 290      23555   -Z+1/4,Y+3/4,X+1/4                                      
REMARK 290      24555   -Z+3/4,-Y+3/4,-X+3/4                                    
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       64.52800            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       64.52800            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       64.52800            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       64.52800            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000       64.52800            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000       64.52800            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000       64.52800            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000       64.52800            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000       64.52800            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000       64.52800            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000       64.52800            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000       64.52800            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000       64.52800            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000       96.79200            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000       32.26400            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000       96.79200            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000       96.79200            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000       96.79200            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000       32.26400            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000       96.79200            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000       32.26400            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000       96.79200            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000       32.26400            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000       96.79200            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000       32.26400            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000       32.26400            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000       96.79200            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000       32.26400            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000       96.79200            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000       96.79200            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000       96.79200            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000       32.26400            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000       96.79200            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000       96.79200            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000       32.26400            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000       32.26400            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000       32.26400            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000       96.79200            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000       32.26400            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000       96.79200            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000       32.26400            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000       96.79200            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000       96.79200            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000       96.79200            
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: 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 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     PHE A  4890                                                      
REMARK 465     GLU A  4891                                                      
REMARK 465     ASP A  4892                                                      
REMARK 465     ASP A  4893                                                      
REMARK 465     GLN A  4894                                                      
REMARK 465     HIS A  4895                                                      
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 A4863    CG   CD   OE1  OE2                                  
REMARK 470     LYS A4887    CE   NZ                                             
REMARK 470     ASP A4889    CG   OD1  OD2                                       
REMARK 470     LYS A4908    CG   CD   CE   NZ                                   
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    ASN A4831       31.61    -96.37                                   
REMARK 500    LYS A4887       90.98     61.52                                   
REMARK 500    ASN A4905       37.36    -94.35                                   
REMARK 500    LYS A4908      -31.92     63.04                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A5001  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A4851   SG                                                     
REMARK 620 2 CYS A4899   SG  123.2                                              
REMARK 620 3 CYS A4901   SG  109.0 103.8                                        
REMARK 620 4 CYS A4906   SG  113.3 101.0 104.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 5001                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SAH A 5002                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5F5E   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5F6L   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5F6K   RELATED DB: PDB                                   
DBREF  5F59 A 4757  4910  UNP    Q8NEZ4   KMT2C_HUMAN   4757   4910             
SEQRES   1 A  154  SER LYS SER SER GLN TYR ARG LYS MET LYS THR GLU TRP          
SEQRES   2 A  154  LYS SER ASN VAL TYR LEU ALA ARG SER ARG ILE GLN GLY          
SEQRES   3 A  154  LEU GLY LEU TYR ALA ALA ARG ASP ILE GLU LYS HIS THR          
SEQRES   4 A  154  MET VAL ILE GLU TYR ILE GLY THR ILE ILE ARG ASN GLU          
SEQRES   5 A  154  VAL ALA ASN ARG LYS GLU LYS LEU TYR GLU SER GLN ASN          
SEQRES   6 A  154  ARG GLY VAL TYR MET PHE ARG MET ASP ASN ASP HIS VAL          
SEQRES   7 A  154  ILE ASP ALA THR LEU THR GLY GLY PRO ALA ARG TYR ILE          
SEQRES   8 A  154  ASN HIS SER CYS ALA PRO ASN CYS VAL ALA GLU VAL VAL          
SEQRES   9 A  154  THR PHE GLU ARG GLY HIS LYS ILE ILE ILE SER SER SER          
SEQRES  10 A  154  ARG ARG ILE GLN LYS GLY GLU GLU LEU CYS TYR ASP TYR          
SEQRES  11 A  154  LYS PHE ASP PHE GLU ASP ASP GLN HIS LYS ILE PRO CYS          
SEQRES  12 A  154  HIS CYS GLY ALA VAL ASN CYS ARG LYS TRP MET                  
HET     ZN  A5001       1                                                       
HET    SAH  A5002      26                                                       
HETNAM      ZN ZINC ION                                                         
HETNAM     SAH S-ADENOSYL-L-HOMOCYSTEINE                                        
FORMUL   2   ZN    ZN 2+                                                        
FORMUL   3  SAH    C14 H20 N6 O5 S                                              
FORMUL   4  HOH   *52(H2 O)                                                     
HELIX    1 AA1 SER A 4757  TRP A 4769  1                                  13    
HELIX    2 AA2 ASN A 4807  SER A 4819  1                                  13    
HELIX    3 AA3 GLY A 4842  ILE A 4847  5                                   6    
SHEET    1 AA1 2 VAL A4773  ARG A4777  0                                        
SHEET    2 AA1 2 LEU A4783  ALA A4787 -1  O  TYR A4786   N  TYR A4774           
SHEET    1 AA2 3 MET A4796  GLU A4799  0                                        
SHEET    2 AA2 3 GLY A4865  SER A4872 -1  O  ILE A4870   N  VAL A4797           
SHEET    3 AA2 3 CYS A4855  PHE A4862 -1  N  VAL A4860   O  LYS A4867           
SHEET    1 AA3 3 THR A4803  ARG A4806  0                                        
SHEET    2 AA3 3 HIS A4833  ASP A4836 -1  O  ASP A4836   N  THR A4803           
SHEET    3 AA3 3 MET A4826  ARG A4828 -1  N  PHE A4827   O  ILE A4835           
SHEET    1 AA4 2 ASN A4848  HIS A4849  0                                        
SHEET    2 AA4 2 CYS A4883  TYR A4884  1  O  TYR A4884   N  ASN A4848           
SHEET    1 AA5 2 ILE A4897  PRO A4898  0                                        
SHEET    2 AA5 2 TRP A4909  MET A4910 -1  O  MET A4910   N  ILE A4897           
LINK         SG  CYS A4851                ZN    ZN A5001     1555   1555  2.17  
LINK         SG  CYS A4899                ZN    ZN A5001     1555   1555  2.09  
LINK         SG  CYS A4901                ZN    ZN A5001     1555   1555  2.32  
LINK         SG  CYS A4906                ZN    ZN A5001     1555   1555  2.42  
SITE     1 AC1  4 CYS A4851  CYS A4899  CYS A4901  CYS A4906                    
SITE     1 AC2 16 ILE A4780  GLN A4781  GLY A4782  LEU A4783                    
SITE     2 AC2 16 ARG A4822  TYR A4825  ARG A4845  TYR A4846                    
SITE     3 AC2 16 ASN A4848  HIS A4849  TYR A4886  PRO A4898                    
SITE     4 AC2 16 CYS A4899  HIS A4900  MET A4910  HOH A5118                    
CRYST1  129.056  129.056  129.056  90.00  90.00  90.00 P 41 3 2     24          
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      0.007749  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007749  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007749        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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