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Database: PDB
Entry: 3CBP
LinkDB: 3CBP
Original site: 3CBP 
HEADER    TRANSFERASE/TRANSFERASE RECEPTOR        22-FEB-08   3CBP              
TITLE     SET7/9-ER-SINEFUNGIN COMPLEX                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE SETD7;                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 111-366;                                      
COMPND   5 SYNONYM: HISTONE H3-K4 METHYLTRANSFERASE SETD7, H3-K4-HMTASE SETD7,  
COMPND   6 SET DOMAIN-CONTAINING PROTEIN 7, SET7/9, LYSINE N-METHYLTRANSFERASE  
COMPND   7 7;                                                                   
COMPND   8 EC: 2.1.1.43;                                                        
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MOL_ID: 2;                                                           
COMPND  11 MOLECULE: ESTROGEN RECEPTOR;                                         
COMPND  12 CHAIN: B;                                                            
COMPND  13 FRAGMENT: UNP RESIDUES 298-307;                                      
COMPND  14 SYNONYM: ER, ESTRADIOL RECEPTOR, ER-ALPHA, NUCLEAR RECEPTOR SUBFAMILY
COMPND  15 3 GROUP A MEMBER 1;                                                  
COMPND  16 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: SETD7, KIAA1717, KMT7, SET7, SET9;                             
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)C+;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX2T;                               
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PXC408;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 OTHER_DETAILS: ER PEPTIDE                                            
KEYWDS    ESTROGEN RECEPTOR, PROTEIN LYSINE METHYLATION, ACTIVATOR, CHROMATIN   
KEYWDS   2 REGULATOR, CHROMOSOMAL PROTEIN, METHYLTRANSFERASE, NUCLEUS, S-       
KEYWDS   3 ADENOSYL-L-METHIONINE, TRANSCRIPTION, TRANSCRIPTION REGULATION,      
KEYWDS   4 TRANSFERASE, DNA-BINDING, LIPID-BINDING, METAL-BINDING,              
KEYWDS   5 PHOSPHOPROTEIN, STEROID-BINDING, ZINC-FINGER, TRANSFERASE-           
KEYWDS   6 TRANSFERASE RECEPTOR COMPLEX                                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    X.CHENG,D.JIA                                                         
REVDAT   3   13-JUL-11 3CBP    1       VERSN                                    
REVDAT   2   24-FEB-09 3CBP    1       VERSN                                    
REVDAT   1   13-MAY-08 3CBP    0                                                
JRNL        AUTH   K.SUBRAMANIAN,D.JIA,P.KAPOOR-VAZIRANI,D.R.POWELL,            
JRNL        AUTH 2 R.E.COLLINS,D.SHARMA,J.PENG,X.CHENG,P.M.VERTINO              
JRNL        TITL   REGULATION OF ESTROGEN RECEPTOR ALPHA BY THE SET7 LYSINE     
JRNL        TITL 2 METHYLTRANSFERASE.                                           
JRNL        REF    MOL.CELL                      V.  30   336 2008              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   18471979                                                     
JRNL        DOI    10.1016/J.MOLCEL.2008.03.022                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.42 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.42                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 23.82                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 806155.700                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 95.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 48755                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.239                           
REMARK   3   FREE R VALUE                     : 0.243                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2437                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.005                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.42                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.47                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 86.30                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 4051                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3120                       
REMARK   3   BIN FREE R VALUE                    : 0.3170                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.50                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 238                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.021                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1898                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 45                                      
REMARK   3   SOLVENT ATOMS            : 117                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 20.40                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 25.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.18000                                             
REMARK   3    B22 (A**2) : 1.28000                                              
REMARK   3    B33 (A**2) : -0.10000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.21                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.15                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 35.00                           
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.22                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.18                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.005                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.30                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 24.80                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.79                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 0.750 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.290 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 1.030 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 1.560 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.46                                                 
REMARK   3   BSOL        : 54.77                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3  METHOD USED : FLAT MODEL                                            
REMARK   3  KSOL        : 0.464112                                              
REMARK   3  BSOL        : 54.7698 (A**2)                                        
REMARK   4                                                                      
REMARK   4 3CBP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-FEB-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB046582.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-APR-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.00                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 22-BM                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MAR CCD 165 MM                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 48755                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.420                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 23.820                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.9                               
REMARK 200  DATA REDUNDANCY                : 7.100                              
REMARK 200  R MERGE                    (I) : 0.06000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.42                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.47                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 86.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.66400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: 1O9S                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 44.38                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.21                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 40-42.5% PEG3350, 100 MM TRIS, PH 8.0,   
REMARK 280  VAPOR DIFFUSION, PH 8.00                                            
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       51.02100            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       19.39300            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       51.02100            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       19.39300            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1670 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11880 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -6.8 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     LYS A   111                                                      
REMARK 465     ASP A   112                                                      
REMARK 465     ASN A   113                                                      
REMARK 465     ILE A   114                                                      
REMARK 465     ARG A   115                                                      
REMARK 465     HIS A   116                                                      
REMARK 465     SER A   340                                                      
REMARK 465     PRO A   341                                                      
REMARK 465     PRO A   342                                                      
REMARK 465     GLY A   343                                                      
REMARK 465     LYS A   344                                                      
REMARK 465     SER A   345                                                      
REMARK 465     GLY A   346                                                      
REMARK 465     PRO A   347                                                      
REMARK 465     GLN A   364                                                      
REMARK 465     GLN A   365                                                      
REMARK 465     LYS A   366                                                      
REMARK 465     ILE B   298                                                      
REMARK 465     LYS B   303                                                      
REMARK 465     ASN B   304                                                      
REMARK 465     SER B   305                                                      
REMARK 465     LEU B   306                                                      
REMARK 465     ALA B   307                                                      
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     ASN A 188    CG   OD1                                            
REMARK 470     ASP A 338    CG   OD1  OD2                                       
REMARK 470     LYS A 358    CG   CD   CE   NZ                                   
REMARK 470     LYS B 299    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    ARG A 152      -48.62   -137.82                                   
REMARK 500    ASP A 194       50.73   -147.39                                   
REMARK 500    SER A 202      149.96   -174.65                                   
REMARK 500    ARG B 300       53.68   -117.40                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SFG A 1501                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 395                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 396                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 1502                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3CBM   RELATED DB: PDB                                   
REMARK 900 SET7/9-ER-ADOMET COMPLEX                                             
REMARK 900 RELATED ID: 3CBO   RELATED DB: PDB                                   
REMARK 900 SET7/9-ER-ADOHCY COMPLEX                                             
DBREF  3CBP A  111   366  UNP    Q8WTS6   SETD7_HUMAN    111    366             
DBREF  3CBP B  298   307  UNP    P03372   ESR1_HUMAN     298    307             
SEQRES   1 A  256  LYS ASP ASN ILE ARG HIS GLY VAL CYS TRP ILE TYR TYR          
SEQRES   2 A  256  PRO ASP GLY GLY SER LEU VAL GLY GLU VAL ASN GLU ASP          
SEQRES   3 A  256  GLY GLU MET THR GLY GLU LYS ILE ALA TYR VAL TYR PRO          
SEQRES   4 A  256  ASP GLU ARG THR ALA LEU TYR GLY LYS PHE ILE ASP GLY          
SEQRES   5 A  256  GLU MET ILE GLU GLY LYS LEU ALA THR LEU MET SER THR          
SEQRES   6 A  256  GLU GLU GLY ARG PRO HIS PHE GLU LEU MET PRO GLY ASN          
SEQRES   7 A  256  SER VAL TYR HIS PHE ASP LYS SER THR SER SER CYS ILE          
SEQRES   8 A  256  SER THR ASN ALA LEU LEU PRO ASP PRO TYR GLU SER GLU          
SEQRES   9 A  256  ARG VAL TYR VAL ALA GLU SER LEU ILE SER SER ALA GLY          
SEQRES  10 A  256  GLU GLY LEU PHE SER LYS VAL ALA VAL GLY PRO ASN THR          
SEQRES  11 A  256  VAL MET SER PHE TYR ASN GLY VAL ARG ILE THR HIS GLN          
SEQRES  12 A  256  GLU VAL ASP SER ARG ASP TRP ALA LEU ASN GLY ASN THR          
SEQRES  13 A  256  LEU SER LEU ASP GLU GLU THR VAL ILE ASP VAL PRO GLU          
SEQRES  14 A  256  PRO TYR ASN HIS VAL SER LYS TYR CYS ALA SER LEU GLY          
SEQRES  15 A  256  HIS LYS ALA ASN HIS SER PHE THR PRO ASN CYS ILE TYR          
SEQRES  16 A  256  ASP MET PHE VAL HIS PRO ARG PHE GLY PRO ILE LYS CYS          
SEQRES  17 A  256  ILE ARG THR LEU ARG ALA VAL GLU ALA ASP GLU GLU LEU          
SEQRES  18 A  256  THR VAL ALA TYR GLY TYR ASP HIS SER PRO PRO GLY LYS          
SEQRES  19 A  256  SER GLY PRO GLU ALA PRO GLU TRP TYR GLN VAL GLU LEU          
SEQRES  20 A  256  LYS ALA PHE GLN ALA THR GLN GLN LYS                          
SEQRES   1 B   10  ILE LYS ARG SER LYS LYS ASN SER LEU ALA                      
HET    SFG  A1501      27                                                       
HET    BME  A 395       4                                                       
HET    BME  A 396       4                                                       
HET    BME  A 397       4                                                       
HET    GOL  A1502       6                                                       
HETNAM     SFG SINEFUNGIN                                                       
HETNAM     BME BETA-MERCAPTOETHANOL                                             
HETNAM     GOL GLYCEROL                                                         
HETSYN     SFG ADENOSYL-ORNITHINE                                               
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   3  SFG    C15 H23 N7 O5                                                
FORMUL   4  BME    3(C2 H6 O S)                                                 
FORMUL   7  GOL    C3 H8 O3                                                     
FORMUL   8  HOH   *117(H2 O)                                                    
HELIX    1   1 ASP A  209  GLU A  214  1                                   6    
HELIX    2   2 THR A  251  SER A  257  1                                   7    
HELIX    3   3 ASP A  259  ASN A  263  5                                   5    
HELIX    4   4 LEU A  291  ALA A  295  5                                   5    
HELIX    5   5 PRO A  350  ALA A  362  1                                  13    
SHEET    1   A 6 VAL A 118  TYR A 122  0                                        
SHEET    2   A 6 SER A 128  GLU A 132 -1  O  LEU A 129   N  ILE A 121           
SHEET    3   A 6 GLY A 141  VAL A 147 -1  O  VAL A 147   N  SER A 128           
SHEET    4   A 6 THR A 153  ILE A 160 -1  O  GLY A 157   N  ILE A 144           
SHEET    5   A 6 GLU A 163  GLU A 176 -1  O  LYS A 168   N  TYR A 156           
SHEET    6   A 6 ARG A 179  LEU A 184 -1  O  HIS A 181   N  SER A 174           
SHEET    1   B 6 VAL A 118  TYR A 122  0                                        
SHEET    2   B 6 SER A 128  GLU A 132 -1  O  LEU A 129   N  ILE A 121           
SHEET    3   B 6 GLY A 141  VAL A 147 -1  O  VAL A 147   N  SER A 128           
SHEET    4   B 6 THR A 153  ILE A 160 -1  O  GLY A 157   N  ILE A 144           
SHEET    5   B 6 GLU A 163  GLU A 176 -1  O  LYS A 168   N  TYR A 156           
SHEET    6   B 6 VAL A 190  TYR A 191 -1  O  TYR A 191   N  GLY A 167           
SHEET    1   C 4 VAL A 216  GLU A 220  0                                        
SHEET    2   C 4 GLU A 228  SER A 232 -1  O  GLY A 229   N  ALA A 219           
SHEET    3   C 4 GLU A 330  VAL A 333 -1  O  LEU A 331   N  LEU A 230           
SHEET    4   C 4 ASN A 296  HIS A 297  1  N  ASN A 296   O  VAL A 333           
SHEET    1   D 3 VAL A 241  TYR A 245  0                                        
SHEET    2   D 3 GLY A 314  THR A 321 -1  O  ILE A 319   N  MET A 242           
SHEET    3   D 3 CYS A 303  HIS A 310 -1  N  ASP A 306   O  CYS A 318           
SHEET    1   E 3 VAL A 248  ILE A 250  0                                        
SHEET    2   E 3 VAL A 274  ASP A 276 -1  O  VAL A 274   N  ILE A 250           
SHEET    3   E 3 LEU A 267  SER A 268 -1  N  LEU A 267   O  ILE A 275           
LINK         SG ACYS A 119                 S2  BME A 397     1555   1555  2.65  
LINK         SG  CYS A 200                 S2  BME A 396     1555   1555  2.81  
LINK         SG  CYS A 288                 S2  BME A 395     1555   1555  3.04  
CISPEP   1 GLU A  279    PRO A  280          0        -0.28                     
SITE     1 AC1 12 ALA A 226  GLU A 228  GLY A 264  ASN A 265                    
SITE     2 AC1 12 HIS A 293  LYS A 294  ASN A 296  HIS A 297                    
SITE     3 AC1 12 TYR A 335  TRP A 352  GLU A 356  LYS B 302                    
SITE     1 AC2  1 CYS A 288                                                     
SITE     1 AC3  6 ASP A 194  LYS A 195  CYS A 200  SER A 202                    
SITE     2 AC3  6 THR A 203  GLU A 272                                          
SITE     1 AC4  5 LYS A 233  THR A 300  PRO A 301  ASN A 302                    
SITE     2 AC4  5 ARG A 323                                                     
CRYST1  102.042   38.786   66.571  90.00  90.00  90.00 P 21 21 2     4          
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      0.009800  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.025782 -0.000001        0.00000                         
SCALE3      0.000000  0.000000  0.015022        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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