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Database: PDB
Entry: 5MQK
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Original site: 5MQK 
HEADER    TRANSCRIPTION                           20-DEC-16   5MQK              
TITLE     CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP019         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CREB-BINDING PROTEIN;                                      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: BROMODOMAIN, UNP RESIDUES 1081-1197;                       
COMPND   5 EC: 2.3.1.48;                                                        
COMPND   6 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: CREBBP, CBP;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008                                      
KEYWDS    CREBBP BROMODOMAIN, INHIBITOR, TRANSCRIPTION                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.ZHU,D.SPILIOTOPOULOS,A.CAFLISCH                                     
REVDAT   5   16-OCT-19 5MQK    1       REMARK                                   
REVDAT   4   17-MAY-17 5MQK    1       JRNL                                     
REVDAT   3   10-MAY-17 5MQK    1       AUTHOR                                   
REVDAT   2   26-APR-17 5MQK    1       JRNL                                     
REVDAT   1   19-APR-17 5MQK    0                                                
JRNL        AUTH   D.SPILIOTOPOULOS,J.ZHU,E.C.WAMHOFF,N.DEERAIN,J.R.MARCHAND,   
JRNL        AUTH 2 J.ARETZ,C.RADEMACHER,A.CAFLISCH                              
JRNL        TITL   VIRTUAL SCREEN TO NMR (VS2NMR): DISCOVERY OF FRAGMENT HITS   
JRNL        TITL 2 FOR THE CBP BROMODOMAIN.                                     
JRNL        REF    BIOORG. MED. CHEM. LETT.      V.  27  2472 2017              
JRNL        REFN                   ESSN 1464-3405                               
JRNL        PMID   28410781                                                     
JRNL        DOI    10.1016/J.BMCL.2017.04.001                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.53 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.53                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.72                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.980                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 33854                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.185                           
REMARK   3   R VALUE            (WORKING SET) : 0.184                           
REMARK   3   FREE R VALUE                     : 0.210                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.930                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2007                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 37.7347 -  3.6866    0.99     2256   143  0.1410 0.1640        
REMARK   3     2  3.6866 -  2.9265    0.99     2268   143  0.1668 0.1804        
REMARK   3     3  2.9265 -  2.5567    1.00     2281   147  0.1879 0.2082        
REMARK   3     4  2.5567 -  2.3229    1.00     2269   142  0.1967 0.2317        
REMARK   3     5  2.3229 -  2.1565    0.99     2259   142  0.2084 0.2075        
REMARK   3     6  2.1565 -  2.0293    1.00     2285   144  0.2095 0.2502        
REMARK   3     7  2.0293 -  1.9277    1.00     2275   145  0.2188 0.2922        
REMARK   3     8  1.9277 -  1.8438    1.00     2260   141  0.2209 0.2466        
REMARK   3     9  1.8438 -  1.7728    1.00     2315   145  0.2263 0.2496        
REMARK   3    10  1.7728 -  1.7116    1.00     2275   143  0.2399 0.3164        
REMARK   3    11  1.7116 -  1.6581    0.99     2295   143  0.2543 0.3087        
REMARK   3    12  1.6581 -  1.6107    0.99     2221   143  0.2568 0.3128        
REMARK   3    13  1.6107 -  1.5683    1.00     2330   145  0.2623 0.3145        
REMARK   3    14  1.5683 -  1.5300    1.00     2258   141  0.2782 0.2749        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.180            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.680           
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      :  0.007           2063                                  
REMARK   3   ANGLE     :  0.915           2816                                  
REMARK   3   CHIRALITY :  0.053            290                                  
REMARK   3   PLANARITY :  0.007            368                                  
REMARK   3   DIHEDRAL  :  8.908           1737                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):   5.4460 -20.0062   4.0986              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2083 T22:   0.3196                                     
REMARK   3      T33:   0.2501 T12:  -0.0572                                     
REMARK   3      T13:   0.0088 T23:   0.0045                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5055 L22:   0.6970                                     
REMARK   3      L33:  -0.4123 L12:   1.2696                                     
REMARK   3      L13:   0.2429 L23:   0.2185                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0268 S12:  -0.1005 S13:  -0.1199                       
REMARK   3      S21:   0.0095 S22:  -0.0179 S23:  -0.0703                       
REMARK   3      S31:  -0.0463 S32:   0.1162 S33:  -0.0032                       
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 5MQK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-DEC-16.                  
REMARK 100 THE DEPOSITION ID IS D_1200002851.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 26-SEP-16                          
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               : SLS                                
REMARK 200  BEAMLINE                       : X06SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.99998                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS EIGER X 16M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 33860                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.530                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 37.720                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 5.100                              
REMARK 200  R MERGE                    (I) : 0.04100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
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   (%): 39.83                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.15 M KSCN, 20% PEG3350, 10% EG,        
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       5555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       6555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290       7555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290       8555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290       9555   -X+Y+1/3,-X+2/3,Z+2/3                                   
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        0.00000            
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        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       61.17800            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       35.32113            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       13.45600            
REMARK 290   SMTRY1   5 -0.500000 -0.866025  0.000000       61.17800            
REMARK 290   SMTRY2   5  0.866025 -0.500000  0.000000       35.32113            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       13.45600            
REMARK 290   SMTRY1   6 -0.500000  0.866025  0.000000       61.17800            
REMARK 290   SMTRY2   6 -0.866025 -0.500000  0.000000       35.32113            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       13.45600            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       70.64227            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       26.91200            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       70.64227            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       26.91200            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       70.64227            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       26.91200            
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     SER A  1079                                                      
REMARK 465     MET A  1080                                                      
REMARK 465     SER B  1079                                                      
REMARK 465     MET B  1080                                                      
REMARK 465     ARG B  1081                                                      
REMARK 465     LYS B  1082                                                      
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     ARG A1081    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A1082    CE   NZ                                             
REMARK 470     LYS A1083    CG   CD   CE   NZ                                   
REMARK 470     LYS A1086    CE   NZ                                             
REMARK 470     GLU A1089    CD   OE1  OE2                                       
REMARK 470     LYS B1086    CG   CD   CE   NZ                                   
REMARK 470     LYS B1176    CD   CE   NZ                                        
REMARK 470     GLN B1194    CG   CD   OE1  NE2                                  
REMARK 470     GLY B1197    C    O                                              
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   O    HOH A  1402     O    HOH A  1411              1.89            
REMARK 500   OH   TYR A  1102     O    HOH A  1301              1.92            
REMARK 500   O    HOH A  1338     O    HOH A  1356              2.00            
REMARK 500   OH   TYR A  1102     O    HOH A  1302              2.01            
REMARK 500   O    HOH A  1414     O    HOH B  1362              2.05            
REMARK 500   OD2  ASP B  1116     O    HOH B  1301              2.10            
REMARK 500   NH1  ARG A  1169     O    HOH A  1303              2.10            
REMARK 500   O    HOH A  1392     O    HOH A  1417              2.14            
REMARK 500   O    HOH A  1402     O    HOH B  1348              2.14            
REMARK 500   O    HOH B  1333     O    HOH B  1367              2.19            
REMARK 500   OD1  ASP A  1127     O    HOH A  1304              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    ILE B1122       69.99   -119.87                                   
REMARK 500    GLU B1188      -18.01   -144.52                                   
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 QPR A 1201                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue QPR B 1201                
DBREF  5MQK A 1081  1197  UNP    Q92793   CBP_HUMAN     1081   1197             
DBREF  5MQK B 1081  1197  UNP    Q92793   CBP_HUMAN     1081   1197             
SEQADV 5MQK SER A 1079  UNP  Q92793              EXPRESSION TAG                 
SEQADV 5MQK MET A 1080  UNP  Q92793              EXPRESSION TAG                 
SEQADV 5MQK SER B 1079  UNP  Q92793              EXPRESSION TAG                 
SEQADV 5MQK MET B 1080  UNP  Q92793              EXPRESSION TAG                 
SEQRES   1 A  119  SER MET ARG LYS LYS ILE PHE LYS PRO GLU GLU LEU ARG          
SEQRES   2 A  119  GLN ALA LEU MET PRO THR LEU GLU ALA LEU TYR ARG GLN          
SEQRES   3 A  119  ASP PRO GLU SER LEU PRO PHE ARG GLN PRO VAL ASP PRO          
SEQRES   4 A  119  GLN LEU LEU GLY ILE PRO ASP TYR PHE ASP ILE VAL LYS          
SEQRES   5 A  119  ASN PRO MET ASP LEU SER THR ILE LYS ARG LYS LEU ASP          
SEQRES   6 A  119  THR GLY GLN TYR GLN GLU PRO TRP GLN TYR VAL ASP ASP          
SEQRES   7 A  119  VAL TRP LEU MET PHE ASN ASN ALA TRP LEU TYR ASN ARG          
SEQRES   8 A  119  LYS THR SER ARG VAL TYR LYS PHE CYS SER LYS LEU ALA          
SEQRES   9 A  119  GLU VAL PHE GLU GLN GLU ILE ASP PRO VAL MET GLN SER          
SEQRES  10 A  119  LEU GLY                                                      
SEQRES   1 B  119  SER MET ARG LYS LYS ILE PHE LYS PRO GLU GLU LEU ARG          
SEQRES   2 B  119  GLN ALA LEU MET PRO THR LEU GLU ALA LEU TYR ARG GLN          
SEQRES   3 B  119  ASP PRO GLU SER LEU PRO PHE ARG GLN PRO VAL ASP PRO          
SEQRES   4 B  119  GLN LEU LEU GLY ILE PRO ASP TYR PHE ASP ILE VAL LYS          
SEQRES   5 B  119  ASN PRO MET ASP LEU SER THR ILE LYS ARG LYS LEU ASP          
SEQRES   6 B  119  THR GLY GLN TYR GLN GLU PRO TRP GLN TYR VAL ASP ASP          
SEQRES   7 B  119  VAL TRP LEU MET PHE ASN ASN ALA TRP LEU TYR ASN ARG          
SEQRES   8 B  119  LYS THR SER ARG VAL TYR LYS PHE CYS SER LYS LEU ALA          
SEQRES   9 B  119  GLU VAL PHE GLU GLN GLU ILE ASP PRO VAL MET GLN SER          
SEQRES  10 B  119  LEU GLY                                                      
HET    QPR  A1201      13                                                       
HET    QPR  B1201      13                                                       
HETNAM     QPR 1-(1-METHYLINDOL-3-YL)ETHANONE                                   
FORMUL   3  QPR    2(C11 H11 N O)                                               
FORMUL   5  HOH   *211(H2 O)                                                    
HELIX    1 AA1 LYS A 1086  ARG A 1103  1                                  18    
HELIX    2 AA2 SER A 1108  ARG A 1112  5                                   5    
HELIX    3 AA3 ASP A 1116  GLY A 1121  1                                   6    
HELIX    4 AA4 ASP A 1124  VAL A 1129  1                                   6    
HELIX    5 AA5 ASP A 1134  THR A 1144  1                                  11    
HELIX    6 AA6 GLU A 1149  ASN A 1168  1                                  20    
HELIX    7 AA7 SER A 1172  LEU A 1196  1                                  25    
HELIX    8 AA8 LYS B 1086  ARG B 1103  1                                  18    
HELIX    9 AA9 SER B 1108  ARG B 1112  5                                   5    
HELIX   10 AB1 ASP B 1116  GLY B 1121  1                                   6    
HELIX   11 AB2 ASP B 1124  VAL B 1129  1                                   6    
HELIX   12 AB3 ASP B 1134  THR B 1144  1                                  11    
HELIX   13 AB4 GLU B 1149  ASN B 1168  1                                  20    
HELIX   14 AB5 SER B 1172  LEU B 1196  1                                  25    
CISPEP   1 ASP A 1105    PRO A 1106          0        12.72                     
CISPEP   2 ASP B 1105    PRO B 1106          0         9.55                     
SITE     1 AC1  5 PRO A1110  VAL A1115  ASN A1168  VAL A1174                    
SITE     2 AC1  5 HOH A1318                                                     
SITE     1 AC2  4 PRO B1110  VAL B1115  ASN B1168  HOH B1325                    
CRYST1  122.356  122.356   40.368  90.00  90.00 120.00 H 3          18          
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      0.008173  0.004719  0.000000        0.00000                         
SCALE2      0.000000  0.009437  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.024772        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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