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Database: PDB
Entry: 2C52
LinkDB: 2C52
Original site: 2C52 
HEADER    TRANSFERASE                             25-OCT-05   2C52              
TITLE     STRUCTURAL DIVERSITY IN CBP P160 COMPLEXES                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CREB-BINDING PROTEIN;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SID, RESIDUES 2059-2117;                                   
COMPND   5 EC: 2.3.1.48;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: NUCLEAR RECEPTOR COACTIVATOR 1;                            
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: AD1, RESIDUES 920-970;                                     
COMPND  11 SYNONYM: STEROID RECEPTOR COACTIVATOR 1, NCOA-1, SRC-1, RIP160, HIN-2
COMPND  12 PROTEIN;                                                             
COMPND  13 EC: 2.3.1.48;                                                        
COMPND  14 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: B834;                                      
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET22B;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  16 EXPRESSION_SYSTEM_STRAIN: B834;                                      
SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PET22B                                    
KEYWDS    TRANSFERASE, ACTIVATOR, BROMODOMAIN, METAL-BINDING, METHYLATION,      
KEYWDS   2 NUCLEAR PROTEIN, TRANSCRIPTION, TRANSCRIPTION REGULATION, ZINC,      
KEYWDS   3 ZINC-FINGER, ACYLTRANSFERASE, ALTERNATIVE SPLICING, CHROMOSOMAL      
KEYWDS   4 TRANSLOCATION, POLYMORPHISM, PROTO-ONCOGENE, UBL CONJUGATION         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    37                                                                    
AUTHOR    L.C.WATERS,B.YUE,V.VEVERKA,P.S.RENSHAW,J.BRAMHAM,S.MATSUDA,           
AUTHOR   2 T.FRENKIEL,G.KELLY,F.W.MUSKETT,M.D.CARR,D.M.HEERY                    
REVDAT   4   02-MAY-18 2C52    1       JRNL   REMARK                            
REVDAT   3   24-FEB-09 2C52    1       VERSN                                    
REVDAT   2   24-MAY-06 2C52    1       JRNL                                     
REVDAT   1   15-MAR-06 2C52    0                                                
JRNL        AUTH   L.WATERS,B.YUE,V.VEVERKA,P.RENSHAW,J.BRAMHAM,S.MATSUDA,      
JRNL        AUTH 2 T.FRENKIEL,G.KELLY,F.MUSKETT,M.CARR,D.M.HEERY                
JRNL        TITL   STRUCTURAL DIVERSITY IN P160/CREB-BINDING PROTEIN            
JRNL        TITL 2 COACTIVATOR COMPLEXES.                                       
JRNL        REF    J. BIOL. CHEM.                V. 281 14787 2006              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   16540468                                                     
JRNL        DOI    10.1074/JBC.M600237200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA                                                
REMARK   3   AUTHORS     : GUNTERT,MUMENTHALER,WUTHRICH                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE    
REMARK   3  JRNL CITATION ABOVE.                                                
REMARK   4                                                                      
REMARK   4 2C52 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 25-OCT-05.                  
REMARK 100 THE DEPOSITION ID IS D_1290023743.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298.0; 298.0; 298.0; 298.0         
REMARK 210  PH                             : 7.0; 7.0; 7.0; 7.0                 
REMARK 210  IONIC STRENGTH                 : 100; 100; 100; 100                 
REMARK 210  PRESSURE                       : NULL; NULL; NULL; NULL             
REMARK 210  SAMPLE CONTENTS                : 90% WATER/10% D2O; 90% WATER/10%   
REMARK 210                                   D2O; 100% D2O; 100% D2O            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 15N-1H HSQC 15N-13C-1H HNCACB      
REMARK 210                                   15N-13C-1H CBCACONH 15N-1H TOCSY-  
REMARK 210                                   HSQC; 15N-1H NOESYHSQC; 13C-1H     
REMARK 210                                   HMQCNOESY; 13C-1H HCCHTOCSY        
REMARK 210                                   NOESY TOCSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE; INOVA                      
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA                              
REMARK 210   METHOD USED                   : CANDID                             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 37                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 20                  
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR      
REMARK 210  SPECTROSCOPY ON 13C, 15N-LABELED CBP-SID SRC1-AD1.                  
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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 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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 ACETYLATES HISTONES, GIVING A SPECIFIC TAG FOR TRANSCRIPTIONAL       
REMARK 400  ACTIVATION AND NUCLEAR RECEPTOR COACTIVATOR THAT DIRECTLY BINDS     
REMARK 400  NUCLEAR RECEPTORS AND STIMULATES THE TRANSCRIPTIONAL ACTIVITIES     
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-37                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLN A    60                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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    MET A    41     H    ILE A    45              1.47            
REMARK 500   O    THR A    49     H    VAL A    53              1.50            
REMARK 500   O    GLU B   328     H    ALA B   332              1.51            
REMARK 500   O    ILE B   340     H    LEU B   343              1.51            
REMARK 500   O    TYR A    52     H    GLN A    56              1.51            
REMARK 500   O    THR B   329     HE   ARG B   336              1.52            
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  1 SER A   5      -92.14    -58.77                                   
REMARK 500  1 SER A  20     -174.19    -51.70                                   
REMARK 500  1 SER A  22       85.33     86.12                                   
REMARK 500  1 SER A  23      -62.67    160.79                                   
REMARK 500  1 PRO A  24      -96.64    -75.08                                   
REMARK 500  1 GLN A  26      -61.68    -29.90                                   
REMARK 500  1 VAL A  53      -32.12    -39.79                                   
REMARK 500  1 THR B 305       36.07   -140.90                                   
REMARK 500  1 VAL B 306       32.36   -147.24                                   
REMARK 500  1 ARG B 309      -64.14   -137.43                                   
REMARK 500  1 ASN B 310      134.08     61.20                                   
REMARK 500  1 ASP B 311      167.74    156.31                                   
REMARK 500  1 GLN B 345      -45.79    -28.96                                   
REMARK 500  1 LEU B 349       32.30   -166.48                                   
REMARK 500  1 ASP B 350      170.69    162.87                                   
REMARK 500  1 VAL B 351      -79.48   -156.01                                   
REMARK 500  1 LEU B 352      -92.87   -144.38                                   
REMARK 500  1 SER B 353       48.36    154.94                                   
REMARK 500  1 LEU B 355       93.95     55.10                                   
REMARK 500  1 VAL B 356       95.47    -34.55                                   
REMARK 500  1 ARG B 358      -41.46   -132.46                                   
REMARK 500  2 ASN A   3      -54.56   -159.36                                   
REMARK 500  2 SER A   5      -71.15     67.45                                   
REMARK 500  2 ILE A   6      144.45    176.41                                   
REMARK 500  2 SER A  20     -173.77    -57.39                                   
REMARK 500  2 SER A  22       88.94     87.68                                   
REMARK 500  2 SER A  23      -61.18    157.33                                   
REMARK 500  2 PRO A  24      -98.98    -75.00                                   
REMARK 500  2 ASN A  37      105.01   -163.41                                   
REMARK 500  2 THR B 304     -160.15     45.76                                   
REMARK 500  2 THR B 305       30.69   -168.44                                   
REMARK 500  2 VAL B 306       36.75   -153.81                                   
REMARK 500  2 ARG B 309      -64.11   -138.43                                   
REMARK 500  2 ASN B 310      137.50     61.49                                   
REMARK 500  2 ASP B 311      166.54    155.08                                   
REMARK 500  2 ARG B 336      -30.45    -37.88                                   
REMARK 500  2 LEU B 349      -89.66    -79.52                                   
REMARK 500  2 ASP B 350     -155.65   -136.88                                   
REMARK 500  2 LEU B 352      -99.72     39.75                                   
REMARK 500  2 SER B 353      -47.30    155.36                                   
REMARK 500  2 LEU B 355       75.52     66.71                                   
REMARK 500  2 VAL B 356      102.29    -43.11                                   
REMARK 500  2 SER B 360      -53.04   -131.46                                   
REMARK 500  3 ASN A   3      137.29     62.77                                   
REMARK 500  3 ARG A   4      163.99    -46.40                                   
REMARK 500  3 SER A   9      -39.09    -37.19                                   
REMARK 500  3 SER A  20     -177.04    -51.27                                   
REMARK 500  3 SER A  22       83.57     91.59                                   
REMARK 500  3 SER A  23      -60.91    163.12                                   
REMARK 500  3 PRO A  24     -102.85    -75.03                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     771 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 650                                                                      
REMARK 650 HELIX                                                                
REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED.                               
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1F81   RELATED DB: PDB                                   
REMARK 900 SOLUTION STRUCTURE OF THE TAZ2 DOMAIN OF THE TRANSCRIPTIONAL         
REMARK 900 ADAPTOR PROTEIN CBP                                                  
REMARK 900 RELATED ID: 1JJS   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF IBID, A DOMAIN OF CBP/P300                          
REMARK 900 RELATED ID: 1KBH   RELATED DB: PDB                                   
REMARK 900 MUTUAL SYNERGISTIC FOLDING IN THE INTERACTION BETWEEN NUCLEAR        
REMARK 900 RECEPTOR COACTIVATORS CBP AND ACTR                                   
REMARK 900 RELATED ID: 1KDX   RELATED DB: PDB                                   
REMARK 900 KIX DOMAIN OF MOUSE CBP (CREB BINDING PROTEIN) IN COMPLEXWITH        
REMARK 900 PHOSPHORYLATED KINASE INDUCIBLE DOMAIN (PKID) OF RATCREB (CYCLIC     
REMARK 900 AMP RESPONSE ELEMENT BINDING PROTEIN), NMR17 STRUCTURES              
REMARK 900 RELATED ID: 1L8C   RELATED DB: PDB                                   
REMARK 900 STRUCTURAL BASIS FOR HIF-1ALPHA/CBP RECOGNITION IN THECELLULAR       
REMARK 900 HYPOXIC RESPONSE                                                     
REMARK 900 RELATED ID: 1R8U   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF CBP TAZ1/CITED2 COMPLEX                             
REMARK 900 RELATED ID: 1SB0   RELATED DB: PDB                                   
REMARK 900 SOLUTION STRUCTURE OF THE KIX DOMAIN OF CBP BOUND TO                 
REMARK 900 THETRANSACTIVATION DOMAIN OF C C-MYB                                 
REMARK 900 RELATED ID: 1TOT   RELATED DB: PDB                                   
REMARK 900 ZZ DOMAIN OF CBP- A NOVEL FOLD FOR A PROTEIN INTERACTIONMODULE       
REMARK 900 RELATED ID: 1U2N   RELATED DB: PDB                                   
REMARK 900 STRUCTURE CBP TAZ1 DOMAIN                                            
REMARK 900 RELATED ID: 1XIU   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE AGONIST-BOUND LIGAND-BINDING DOMAIN OF      
REMARK 900 BIOMPHALARIA GLABRATA RXR                                            
REMARK 900 RELATED ID: 2A3I   RELATED DB: PDB                                   
REMARK 900 STRUCTURAL AND BIOCHEMICAL MECHANISMS FOR THE SPECIFICITY OF         
REMARK 900 HORMONE BINDING AND COACTIVATOR ASSEMBLY BY MINERALOCORTICOID        
REMARK 900 RECEPTOR                                                             
REMARK 900 RELATED ID: 6874   RELATED DB: BMRB                                  
REMARK 900 SHIFTS HAVE BEEN DEPOSITED AT BMRB UNDER ACCESSION NUMBER BMRB-6874  
DBREF  2C52 A    2    60  UNP    P45481   CBP_MOUSE     2059   2117             
DBREF  2C52 B  303   353  UNP    Q15788   NCOA1_HUMAN    920    970             
DBREF  2C52 B  354   361  PDB    2C52     2C52           354    361             
SEQRES   1 A   59  PRO ASN ARG SER ILE SER PRO SER ALA LEU GLN ASP LEU          
SEQRES   2 A   59  LEU ARG THR LEU LYS SER PRO SER SER PRO GLN GLN GLN          
SEQRES   3 A   59  GLN GLN VAL LEU ASN ILE LEU LYS SER ASN PRO GLN LEU          
SEQRES   4 A   59  MET ALA ALA PHE ILE LYS GLN ARG THR ALA LYS TYR VAL          
SEQRES   5 A   59  ALA ASN GLN PRO GLY MET GLN                                  
SEQRES   1 B   59  PRO THR THR VAL GLU GLY ARG ASN ASP GLU LYS ALA LEU          
SEQRES   2 B   59  LEU GLU GLN LEU VAL SER PHE LEU SER GLY LYS ASP GLU          
SEQRES   3 B   59  THR GLU LEU ALA GLU LEU ASP ARG ALA LEU GLY ILE ASP          
SEQRES   4 B   59  LYS LEU VAL GLN GLY GLY GLY LEU ASP VAL LEU SER LYS          
SEQRES   5 B   59  LEU VAL PRO ARG GLY SER LEU                                  
HELIX    1   1 SER A    9  LYS A   19  1                                  11    
HELIX    2   2 GLN A   25  SER A   36  1                                  12    
HELIX    3   3 PRO A   38  THR A   49  1                                  12    
HELIX    4   4 TYR A   52  ASN A   55  1                                   4    
HELIX    5   5 GLU B  312  SER B  324  1                                  13    
HELIX    6   6 GLU B  328  LEU B  331  1                                   4    
HELIX    7   7 GLU B  333  LEU B  338  5                                   6    
HELIX    8   8 ILE B  340  GLN B  345  1                                   6    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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