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Database: PDB
Entry: 2EQR
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Original site: 2EQR 
HEADER    TRANSCRIPTION                           30-MAR-07   2EQR              
TITLE     SOLUTION STRUCTURE OF THE FIRST SANT DOMAIN FROM HUMAN                
TITLE    2 NUCLEAR RECEPTOR COREPRESSOR 1                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NUCLEAR RECEPTOR COREPRESSOR 1;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SANT DOMAIN;                                               
COMPND   5 SYNONYM: N-COR1, N-COR;                                              
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: NCOR1;                                                         
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P061225-49;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    SANT DOMAIN, NUCLEAR RECEPTOR COREPRESSOR 1, N-COR1, N-COR,           
KEYWDS   2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN             
KEYWDS   3 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL                 
KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSCRIPTION                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    H.P.ZHANG,F.HAYAHSI,S.YOKOYAMA,RIKEN STRUCTURAL                       
AUTHOR   2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
REVDAT   2   24-FEB-09 2EQR    1       VERSN                                    
REVDAT   1   01-APR-08 2EQR    0                                                
JRNL        AUTH   H.P.ZHANG,F.HAYASHI,S.YOKOYAMA                               
JRNL        TITL   SOLUTION STRUCTURE OF THE FIRST SANT DOMAIN FROM             
JRNL        TITL 2 HUMAN NUCLEAR RECEPTOR COREPRESSOR 1                         
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0.17                                         
REMARK   3   AUTHORS     : GUNTERT, P.                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2EQR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-JUN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB026991.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.14MM 13C, 15N-LABELED            
REMARK 210                                   PROTEIN; 20MM D-TRIS-HCL(PH        
REMARK 210                                   7.0); 100MM NACL; 1MM D-DTT;       
REMARK 210                                   0.02% NAN3, 90% H2O, 10% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR 6.1C, NMRPIPE 20031121,       
REMARK 210                                   NMRVIEW 5.0.4, KUJIRA 0.9818,      
REMARK 210                                   CYANA 2.0.17                       
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS,              
REMARK 210                                   STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY, TARGET FUNCTION            
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: 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 ASN A  13       79.39   -108.32                                   
REMARK 500  1 HIS A  30       77.16   -107.77                                   
REMARK 500  1 LEU A  36      -63.26    -91.10                                   
REMARK 500  1 ILE A  37      -32.66    -39.80                                   
REMARK 500  1 PRO A  47        0.67    -69.79                                   
REMARK 500  1 VAL A  50      -34.25    -39.61                                   
REMARK 500  2 ASP A   8       41.03   -100.40                                   
REMARK 500  2 PHE A  11      160.00    -44.30                                   
REMARK 500  2 MET A  12      157.91    -43.90                                   
REMARK 500  2 TRP A  15      108.03    -47.15                                   
REMARK 500  2 THR A  16      -74.28   -119.33                                   
REMARK 500  2 ASP A  17      -66.31   -126.53                                   
REMARK 500  2 ARG A  43       37.06    -87.91                                   
REMARK 500  3 PHE A  34      -32.19    -38.53                                   
REMARK 500  3 ASN A  59      157.92    -45.79                                   
REMARK 500  4 SER A   6       41.47     35.15                                   
REMARK 500  5 ASN A  13       94.64    -51.06                                   
REMARK 500  5 THR A  16      -75.43   -134.37                                   
REMARK 500  5 ASP A  17      -60.24   -130.42                                   
REMARK 500  5 ASN A  33      113.08   -160.23                                   
REMARK 500  5 ARG A  43       32.93    -88.82                                   
REMARK 500  5 PRO A  47        2.76    -69.74                                   
REMARK 500  6 GLU A  60       94.28    -67.75                                   
REMARK 500  7 SER A   5      101.20    -49.54                                   
REMARK 500  7 PHE A  11       43.02     35.52                                   
REMARK 500  7 MET A  12       46.98    -93.84                                   
REMARK 500  7 ASN A  13      106.21   -174.89                                   
REMARK 500  7 ARG A  43       33.67    -90.34                                   
REMARK 500  7 TYR A  53      -37.42    -39.64                                   
REMARK 500  7 THR A  56      -33.32    -39.10                                   
REMARK 500  8 ARG A   9      170.00    -48.39                                   
REMARK 500  8 ASN A  13       92.44    -66.78                                   
REMARK 500  8 ARG A  43      -67.82   -101.87                                   
REMARK 500  8 LYS A  44      156.63    -38.57                                   
REMARK 500  8 GLU A  60      107.54    -41.02                                   
REMARK 500  9 TRP A  15      100.21    -57.67                                   
REMARK 500  9 LEU A  41       92.94    -67.56                                   
REMARK 500 10 SER A   2      143.19    -34.63                                   
REMARK 500 10 HIS A  18      -72.95    -46.21                                   
REMARK 500 10 LYS A  57      -35.63    -34.61                                   
REMARK 500 10 GLU A  60       44.99   -108.01                                   
REMARK 500 11 ARG A   9       41.38    -99.25                                   
REMARK 500 11 GLN A  10       39.81     37.17                                   
REMARK 500 11 TRP A  15      173.11    -57.72                                   
REMARK 500 11 LEU A  41     -174.64    -56.65                                   
REMARK 500 11 ARG A  43       50.86     75.06                                   
REMARK 500 11 PRO A  47        2.47    -69.74                                   
REMARK 500 11 LYS A  57      119.56   -175.01                                   
REMARK 500 12 SER A   3      173.83    -51.81                                   
REMARK 500 12 THR A  16      -75.44   -111.13                                   
REMARK 500 12 ASP A  17      -53.52   -133.70                                   
REMARK 500 12 PRO A  47        3.20    -69.74                                   
REMARK 500 13 ASP A   8       42.15    -89.92                                   
REMARK 500 13 PHE A  34      -39.07    -37.73                                   
REMARK 500 13 GLU A  42      -76.23    -61.91                                   
REMARK 500 13 LYS A  58       42.13     38.48                                   
REMARK 500 14 SER A  39      -39.20    -39.19                                   
REMARK 500 14 VAL A  50      -39.99    -38.91                                   
REMARK 500 15 ARG A   9       46.06    -96.09                                   
REMARK 500 15 LYS A  24      -70.11    -54.94                                   
REMARK 500 15 GLN A  29      -39.70    -36.47                                   
REMARK 500 15 ARG A  43       45.18   -100.10                                   
REMARK 500 15 THR A  56      -35.34    -37.45                                   
REMARK 500 16 PHE A  27      -39.46    -34.73                                   
REMARK 500 16 HIS A  30       78.69   -108.85                                   
REMARK 500 16 PHE A  34      -33.10    -34.74                                   
REMARK 500 16 LEU A  41     -174.58    -51.79                                   
REMARK 500 16 SER A  45      156.03    -43.75                                   
REMARK 500 17 SER A   2      154.64    -47.57                                   
REMARK 500 17 SER A   3      106.22    -44.12                                   
REMARK 500 17 ARG A   9      -30.80    -36.68                                   
REMARK 500 17 PRO A  47        0.80    -69.80                                   
REMARK 500 17 LYS A  58       38.77    -99.53                                   
REMARK 500 18 PHE A  11       42.00     37.81                                   
REMARK 500 18 HIS A  18      -70.26    -54.93                                   
REMARK 500 19 LYS A  32       37.99     38.64                                   
REMARK 500 19 LEU A  41     -174.82    -54.27                                   
REMARK 500 19 SER A  45      154.27    -40.15                                   
REMARK 500 20 PHE A  11      104.40    -35.49                                   
REMARK 500 20 MET A  12       41.05    -83.18                                   
REMARK 500 20 ASN A  13      128.36   -170.97                                   
REMARK 500 20 GLN A  29      -64.21   -102.60                                   
REMARK 500 20 HIS A  30       78.61   -109.97                                   
REMARK 500 20 GLU A  60      154.75    -44.17                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSO003013067.1   RELATED DB: TARGETDB                    
DBREF  2EQR A    8    61  UNP    O75376   NCOR1_HUMAN    433    486             
SEQADV 2EQR GLY A    1  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR SER A    2  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR SER A    3  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR GLY A    4  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR SER A    5  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR SER A    6  UNP  O75376              EXPRESSION TAG                 
SEQADV 2EQR GLY A    7  UNP  O75376              EXPRESSION TAG                 
SEQRES   1 A   61  GLY SER SER GLY SER SER GLY ASP ARG GLN PHE MET ASN          
SEQRES   2 A   61  VAL TRP THR ASP HIS GLU LYS GLU ILE PHE LYS ASP LYS          
SEQRES   3 A   61  PHE ILE GLN HIS PRO LYS ASN PHE GLY LEU ILE ALA SER          
SEQRES   4 A   61  TYR LEU GLU ARG LYS SER VAL PRO ASP CYS VAL LEU TYR          
SEQRES   5 A   61  TYR TYR LEU THR LYS LYS ASN GLU ASN                          
HELIX    1   1 THR A   16  HIS A   30  1                                  15    
HELIX    2   2 ASN A   33  LEU A   41  1                                   9    
HELIX    3   3 SER A   45  LYS A   57  1                                  13    
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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