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Database: PDB
Entry: 1SB0
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HEADER    TRANSCRIPTION                           09-FEB-04   1SB0              
TITLE     SOLUTION STRUCTURE OF THE KIX DOMAIN OF CBP BOUND TO THE              
TITLE    2 TRANSACTIVATION DOMAIN OF C-MYB                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN CBP;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: KIX DOMAIN;                                                
COMPND   5 SYNONYM: CREB-BINDING PROTEIN;                                       
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: PROTEIN C-MYB;                                             
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: TRANSCRIPTIONAL ACTIVATION DOMAIN;                         
COMPND  11 SYNONYM: MYB PROTO-ONCOGENE PROTEIN;                                 
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: CBP;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DNAY;                            
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET;                                      
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  13 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE  14 ORGANISM_TAXID: 10090;                                               
SOURCE  15 GENE: C-MYB;                                                         
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DNAY;                            
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: UBIQUITIN EXPRESSION VECTOR           
KEYWDS    CREB-BINDING PROTEIN; TRANSCRIPTIONAL ACTIVATION;                     
KEYWDS   2 CONSTITUTIVE ACTIVATION; LXXLL MOTIF; MYB; KIX                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    T.ZOR,R.N.DE GUZMAN,H.J.DYSON,P.E.WRIGHT                              
REVDAT   2   24-FEB-09 1SB0    1       VERSN                                    
REVDAT   1   13-APR-04 1SB0    0                                                
JRNL        AUTH   T.ZOR,R.N.DE GUZMAN,H.J.DYSON,P.E.WRIGHT                     
JRNL        TITL   SOLUTION STRUCTURE OF THE KIX DOMAIN OF CBP BOUND            
JRNL        TITL 2 TO THE TRANSACTIVATION DOMAIN OF C-MYB                       
JRNL        REF    J.MOL.BIOL.                   V. 337   521 2004              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   15019774                                                     
JRNL        DOI    10.1016/J.JMB.2004.01.038                                    
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 7                                              
REMARK   3   AUTHORS     : DAVID CASE ET AL.                                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1SB0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-FEB-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB021568.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 27                                 
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 50 MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 20 MM TRIS D11 ACETATE D4; 50      
REMARK 210                                   MM NACL; 2 MM NAN3; PH 5.5         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 2D TOCSY, 3D_13C-        
REMARK 210                                   SEPARATED_NOESY, 3D_15N-           
REMARK 210                                   SEPARATED_NOESY                    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ, 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA 1.5, NMRPIPE, NMRVIEW        
REMARK 210                                   4.3.1                              
REMARK 210   METHOD USED                   : INITIAL STRUCTURES FROM DYANA      
REMARK 210                                   AND REFINED IN AMBER               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  1 TYR A  73   CB  -  CG  -  CD1 ANGL. DEV. =  -4.1 DEGREES          
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 VAL A   2      -73.52    -81.05                                   
REMARK 500  1 PRO A  28       81.43    -67.50                                   
REMARK 500  1 GLU A  80       85.22      8.95                                   
REMARK 500  1 LYS A  82      -75.05    -17.07                                   
REMARK 500  1 SER A  85      -71.16      0.10                                   
REMARK 500  1 THR B 102      -69.50    -24.54                                   
REMARK 500  1 ALA B 111      -61.04   -135.21                                   
REMARK 500  3 VAL A   2       47.81    -77.51                                   
REMARK 500  3 PHE A  27       94.42   -165.81                                   
REMARK 500  3 PRO A  28      105.50    -57.48                                   
REMARK 500  3 GLU A  80      -86.62     23.13                                   
REMARK 500  3 SER A  85      -77.66   -158.70                                   
REMARK 500  4 ASN A  59       37.26    -77.73                                   
REMARK 500  4 ARG A  83      -73.90    -96.37                                   
REMARK 500  4 GLN B 110       34.96    -97.93                                   
REMARK 500  5 ARG A  83     -158.05    -74.65                                   
REMARK 500  5 ARG A  84       70.30    -66.06                                   
REMARK 500  5 LYS B 107      -72.89    -37.14                                   
REMARK 500  6 PHE A  27       88.79   -150.78                                   
REMARK 500  6 SER A  85      -94.08     20.75                                   
REMARK 500  7 ARG A   3       73.26   -162.55                                   
REMARK 500  7 LYS A   4       28.95   -145.30                                   
REMARK 500  7 ARG A  83     -106.00   -134.33                                   
REMARK 500  7 GLN B 110       56.05      9.86                                   
REMARK 500  8 GLU A  80       84.78     11.87                                   
REMARK 500  8 ARG A  84      -60.14   -105.28                                   
REMARK 500  8 GLU B  89      -71.30    -12.84                                   
REMARK 500  8 THR B 102      -63.23    -19.74                                   
REMARK 500  9 SER A  85       45.57    -75.56                                   
REMARK 500  9 GLU B  89      -79.01      0.17                                   
REMARK 500 10 VAL A   2      105.13    -44.19                                   
REMARK 500 10 ARG A   3      -36.64   -158.78                                   
REMARK 500 10 GLU A   8      -39.66    -35.66                                   
REMARK 500 10 PHE A  27       95.15   -162.19                                   
REMARK 500 10 PRO A  28       96.57    -51.91                                   
REMARK 500 10 LYS A  36       49.37    -78.40                                   
REMARK 500 10 GLU A  80      108.73    -38.56                                   
REMARK 500 10 GLN B 109       52.62     29.82                                   
REMARK 500 11 LYS A   4       17.64   -151.58                                   
REMARK 500 11 GLU A   8      -46.28    -29.93                                   
REMARK 500 11 PRO A  28       85.01    -66.72                                   
REMARK 500 11 ASN A  59       47.73    -79.44                                   
REMARK 500 11 SER A  60      145.85    173.34                                   
REMARK 500 11 GLU B  89      -71.78    -10.09                                   
REMARK 500 12 GLU A  80       77.79   -109.37                                   
REMARK 500 12 GLU A  81      108.59    -19.60                                   
REMARK 500 12 LYS A  82      -18.69    -30.59                                   
REMARK 500 12 SER A  85     -111.80     46.60                                   
REMARK 500 13 ARG A   3      -61.15    -28.77                                   
REMARK 500 14 ARG A   3     -100.41      0.66                                   
REMARK 500 14 HIS A   7      -39.57    -39.36                                   
REMARK 500 14 SER A  85       41.60    -73.71                                   
REMARK 500 14 GLU B  89      -73.10    -92.42                                   
REMARK 500 15 GLU A   8      -37.69    -38.33                                   
REMARK 500 15 GLU B  89      -72.38    -11.11                                   
REMARK 500 15 LYS B 107       70.33      4.22                                   
REMARK 500 16 PHE A  27      100.00   -166.24                                   
REMARK 500 16 GLN B 110       44.95    -76.53                                   
REMARK 500 17 GLU A  80      -72.84      0.67                                   
REMARK 500 17 ARG A  86       55.63    -65.32                                   
REMARK 500 17 GLN B 109      -66.37    -11.58                                   
REMARK 500 18 ARG A  83      -65.59    -12.55                                   
REMARK 500 18 LYS B 107       46.50    -78.18                                   
REMARK 500 19 ARG A  83     -141.59   -110.39                                   
REMARK 500 20 VAL A   2      -71.86     52.58                                   
REMARK 500 20 ARG A   3      -69.43   -153.45                                   
REMARK 500 20 PRO A  28       99.19    -64.29                                   
REMARK 500 20 GLU A  80       37.06    -78.98                                   
REMARK 500 20 LYS A  82       44.27    -74.05                                   
REMARK 500 20 ARG A  86       60.19    -69.41                                   
REMARK 500 20 GLN B 110       64.53    -62.57                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 TYR A  64         0.09    SIDE_CHAIN                              
REMARK 500  1 TYR A  73         0.30    SIDE_CHAIN                              
REMARK 500  1 ARG B  91         0.11    SIDE_CHAIN                              
REMARK 500  2 TYR A  64         0.07    SIDE_CHAIN                              
REMARK 500  2 TYR A  65         0.08    SIDE_CHAIN                              
REMARK 500  2 TYR A  73         0.15    SIDE_CHAIN                              
REMARK 500  3 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500  4 TYR A  55         0.07    SIDE_CHAIN                              
REMARK 500  4 TYR A  64         0.10    SIDE_CHAIN                              
REMARK 500  4 TYR A  73         0.15    SIDE_CHAIN                              
REMARK 500  5 ARG A   3         0.08    SIDE_CHAIN                              
REMARK 500  5 ARG A  15         0.08    SIDE_CHAIN                              
REMARK 500  5 TYR A  55         0.07    SIDE_CHAIN                              
REMARK 500  5 TYR A  65         0.07    SIDE_CHAIN                              
REMARK 500  5 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500  6 TYR A  64         0.07    SIDE_CHAIN                              
REMARK 500  6 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500  7 ARG A   3         0.12    SIDE_CHAIN                              
REMARK 500  7 ARG A  39         0.10    SIDE_CHAIN                              
REMARK 500  7 TYR A  64         0.07    SIDE_CHAIN                              
REMARK 500  7 TYR A  73         0.16    SIDE_CHAIN                              
REMARK 500  8 TYR A  55         0.20    SIDE_CHAIN                              
REMARK 500  8 TYR A  64         0.06    SIDE_CHAIN                              
REMARK 500  9 TYR A  55         0.17    SIDE_CHAIN                              
REMARK 500  9 TYR A  64         0.08    SIDE_CHAIN                              
REMARK 500  9 TYR A  73         0.13    SIDE_CHAIN                              
REMARK 500 10 TYR A  64         0.09    SIDE_CHAIN                              
REMARK 500 10 TYR A  73         0.16    SIDE_CHAIN                              
REMARK 500 11 PHE A  27         0.10    SIDE_CHAIN                              
REMARK 500 11 TYR A  46         0.06    SIDE_CHAIN                              
REMARK 500 11 TYR A  55         0.10    SIDE_CHAIN                              
REMARK 500 11 TYR A  64         0.11    SIDE_CHAIN                              
REMARK 500 11 TYR A  73         0.13    SIDE_CHAIN                              
REMARK 500 11 ARG A  83         0.07    SIDE_CHAIN                              
REMARK 500 12 TYR A  64         0.07    SIDE_CHAIN                              
REMARK 500 12 TYR A  65         0.09    SIDE_CHAIN                              
REMARK 500 12 TYR A  73         0.15    SIDE_CHAIN                              
REMARK 500 13 TYR A  64         0.11    SIDE_CHAIN                              
REMARK 500 13 TYR A  73         0.16    SIDE_CHAIN                              
REMARK 500 14 TYR A  64         0.10    SIDE_CHAIN                              
REMARK 500 14 TYR A  65         0.08    SIDE_CHAIN                              
REMARK 500 14 TYR A  73         0.15    SIDE_CHAIN                              
REMARK 500 15 ARG A  38         0.09    SIDE_CHAIN                              
REMARK 500 15 TYR A  55         0.18    SIDE_CHAIN                              
REMARK 500 15 TYR A  65         0.10    SIDE_CHAIN                              
REMARK 500 15 TYR A  73         0.18    SIDE_CHAIN                              
REMARK 500 16 TYR A  73         0.08    SIDE_CHAIN                              
REMARK 500 17 TYR A  64         0.07    SIDE_CHAIN                              
REMARK 500 17 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500 18 PHE A  27         0.09    SIDE_CHAIN                              
REMARK 500 18 TYR A  64         0.08    SIDE_CHAIN                              
REMARK 500 18 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500 19 PHE A  27         0.08    SIDE_CHAIN                              
REMARK 500 19 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500 20 ARG A  61         0.09    SIDE_CHAIN                              
REMARK 500 20 TYR A  64         0.10    SIDE_CHAIN                              
REMARK 500 20 TYR A  73         0.14    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1SB0 A    1    87  UNP    P45481   CBP_MOUSE      580    666             
DBREF  1SB0 B   88   112  UNP    P06876   MYB_MOUSE      291    315             
SEQRES   1 A   87  GLY VAL ARG LYS GLY TRP HIS GLU HIS VAL THR GLN ASP          
SEQRES   2 A   87  LEU ARG SER HIS LEU VAL HIS LYS LEU VAL GLN ALA ILE          
SEQRES   3 A   87  PHE PRO THR PRO ASP PRO ALA ALA LEU LYS ASP ARG ARG          
SEQRES   4 A   87  MET GLU ASN LEU VAL ALA TYR ALA LYS LYS VAL GLU GLY          
SEQRES   5 A   87  ASP MET TYR GLU SER ALA ASN SER ARG ASP GLU TYR TYR          
SEQRES   6 A   87  HIS LEU LEU ALA GLU LYS ILE TYR LYS ILE GLN LYS GLU          
SEQRES   7 A   87  LEU GLU GLU LYS ARG ARG SER ARG LEU                          
SEQRES   1 B   25  LYS GLU LYS ARG ILE LYS GLU LEU GLU LEU LEU LEU MET          
SEQRES   2 B   25  SER THR GLU ASN GLU LEU LYS GLY GLN GLN ALA LEU              
HELIX    1   1 TRP A    6  VAL A   10  5                                   5    
HELIX    2   2 THR A   11  PHE A   27  1                                  17    
HELIX    3   3 ASP A   31  LYS A   36  5                                   6    
HELIX    4   4 ASP A   37  ALA A   58  1                                  22    
HELIX    5   5 SER A   60  GLU A   80  1                                  21    
HELIX    6   6 LYS B   88  GLN B  109  1                                  22    
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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