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Database: PDB
Entry: 1OQA
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Original site: 1OQA 
HEADER    GENE REGULATION                         07-MAR-03   1OQA              
TITLE     SOLUTION STRUCTURE OF THE BRCT-C DOMAIN FROM HUMAN BRCA1              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BREAST CANCER TYPE 1 SUSCEPTIBILITY PROTEIN;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: BRCT-C;                                                    
COMPND   5 SYNONYM: BRCA1;                                                      
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: BRCA1;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T1                                  
KEYWDS    BRCT, BREAST CANCER, GENE REGULATION                                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    O.J.GAISER,L.J.BALL,P.SCHMIEDER,D.LEITNER,H.STRAUSS,M.WAHL,           
AUTHOR   2 R.KUHNE,H.OSCHKINAT,U.HEINEMANN                                      
REVDAT   3   24-FEB-09 1OQA    1       VERSN                                    
REVDAT   2   05-APR-05 1OQA    1       JRNL                                     
REVDAT   1   15-JUN-04 1OQA    0                                                
JRNL        AUTH   O.J.GAISER,L.J.BALL,P.SCHMIEDER,D.LEITNER,                   
JRNL        AUTH 2 H.STRAUSS,M.WAHL,R.KUHNE,H.OSCHKINAT,U.HEINEMANN             
JRNL        TITL   SOLUTION STRUCTURE, BACKBONE DYNAMICS, AND                   
JRNL        TITL 2 ASSOCIATION BEHAVIOR OF THE C-TERMINAL BRCT DOMAIN           
JRNL        TITL 3 FROM THE BREAST CANCER-ASSOCIATED PROTEIN BRCA1.             
JRNL        REF    BIOCHEMISTRY                  V.  43 15983 2004              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   15609993                                                     
JRNL        DOI    10.1021/BI049550Q                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.8, CNS 1.0                                  
REMARK   3   AUTHORS     : BRUNGER, A. (X-PLOR), BRUNGER, A. (CNS)              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1OQA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAR-03.                  
REMARK 100 THE RCSB ID CODE IS RCSB018558.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 295.9                              
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.7MM BRCT-C; U-15N,13C, 20MM      
REMARK 210                                   POTASSIUM PHOSPHATE BUFFER PH      
REMARK 210                                   6.8, 5 MM KCL, 10 MM D10-DTT,      
REMARK 210                                   99.98% D2O; 1.3 MM BRCT-C; U-      
REMARK 210                                   15N, 20 MM POTASSIUM PHOSPHATE     
REMARK 210                                   BUFFER PH 6.8, 5 MM KCL, 10 MM     
REMARK 210                                   D10-DTT, 93% H2O, 7% D2O; 1.3      
REMARK 210                                   MM BRCT-C; U-15N, 20 MM            
REMARK 210                                   POTASSIUM PHOSPHATE BUFFER PH      
REMARK 210                                   6.8, 5 MM KCL, 10 MM D10-DTT,      
REMARK 210                                   99.98% D2O                         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY, 2D NOESY,     
REMARK 210                                   2D TOCSY, DQF-COSY, HNHA           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ, 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DRX, DMX                           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 1.3, AZARA 2.1, ANSIG      
REMARK 210                                   3.3                                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING, DISTANCE      
REMARK 210                                   GEOMETRY                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 250                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR      
REMARK 210  SPECTROSCOPY.                                                       
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 ARG A   5      -62.52   -162.92                                   
REMARK 500  1 LYS A   6      134.61     64.08                                   
REMARK 500  1 ARG A   9       91.96     45.32                                   
REMARK 500  1 PHE A  19      -80.80     63.22                                   
REMARK 500  1 THR A  20      -78.03   -154.10                                   
REMARK 500  1 ASN A  21       51.40   -172.41                                   
REMARK 500  1 MET A  22      -51.10    178.95                                   
REMARK 500  1 PRO A  23       64.11    -66.00                                   
REMARK 500  1 THR A  24      -73.10   -142.67                                   
REMARK 500  1 GLN A  58       93.29   -175.49                                   
REMARK 500  1 ASP A  60      -67.96   -120.33                                   
REMARK 500  1 THR A  63     -168.51     45.96                                   
REMARK 500  1 ASP A  65      -42.87   -177.34                                   
REMARK 500  1 HIS A  69       55.27    -91.38                                   
REMARK 500  1 ALA A  70       36.10   -176.26                                   
REMARK 500  1 TYR A  92       80.91     69.22                                   
REMARK 500  1 GLN A  93      129.36    179.16                                   
REMARK 500  1 CYS A  94       86.57    -60.93                                   
REMARK 500  1 GLN A 104       88.97     56.42                                   
REMARK 500  1 HIS A 107     -174.67     61.62                                   
REMARK 500  1 SER A 108      -57.99   -152.50                                   
REMARK 500  2 GLN A   3       98.55     59.00                                   
REMARK 500  2 ARG A   5       94.57     56.93                                   
REMARK 500  2 ARG A   9       84.34     35.85                                   
REMARK 500  2 PHE A  19      -79.20     63.87                                   
REMARK 500  2 THR A  20      -76.38   -130.72                                   
REMARK 500  2 ASN A  21       39.96   -178.20                                   
REMARK 500  2 MET A  22      -52.14    178.23                                   
REMARK 500  2 PRO A  23       83.84    -56.58                                   
REMARK 500  2 THR A  24      -54.32   -146.42                                   
REMARK 500  2 THR A  46       96.13     61.71                                   
REMARK 500  2 THR A  49      -45.88   -140.21                                   
REMARK 500  2 GLN A  58       92.66    173.68                                   
REMARK 500  2 THR A  63      154.84     61.26                                   
REMARK 500  2 ASP A  65      -61.57   -132.41                                   
REMARK 500  2 HIS A  69       49.60    -91.47                                   
REMARK 500  2 ALA A  70       36.19   -169.51                                   
REMARK 500  2 TYR A  92       76.89     71.46                                   
REMARK 500  2 GLN A  93      132.89   -177.68                                   
REMARK 500  2 CYS A  94       83.74    -64.38                                   
REMARK 500  2 TYR A 100       28.24   -140.09                                   
REMARK 500  2 GLN A 104       90.02   -169.72                                   
REMARK 500  3 SER A   2      -42.60   -170.31                                   
REMARK 500  3 ASP A   4      -44.00   -163.15                                   
REMARK 500  3 ARG A   5       69.64   -111.87                                   
REMARK 500  3 ARG A   9       87.55     41.05                                   
REMARK 500  3 PRO A  18     -171.90    -55.26                                   
REMARK 500  3 PHE A  19      -78.07   -127.11                                   
REMARK 500  3 ASN A  21      -75.30   -129.58                                   
REMARK 500  3 MET A  22       54.59   -167.71                                   
REMARK 500  3 PHE A  45      104.52    -51.97                                   
REMARK 500  3 GLN A  58       70.73    178.06                                   
REMARK 500  3 PRO A  59       92.03    -53.07                                   
REMARK 500  3 ASP A  60      -44.28   -161.74                                   
REMARK 500  3 THR A  63      -76.16     65.38                                   
REMARK 500  3 ASP A  65       79.21   -104.85                                   
REMARK 500  3 ALA A  70       34.47   -171.53                                   
REMARK 500  3 GLU A  76       30.25    -97.25                                   
REMARK 500  3 THR A  81      159.23    -47.64                                   
REMARK 500  3 TYR A  92       76.96     62.53                                   
REMARK 500  3 GLN A  93      132.31   -178.67                                   
REMARK 500  3 CYS A  94       86.13    -60.78                                   
REMARK 500  3 ILE A 102      128.36     63.62                                   
REMARK 500  4 SER A   2     -175.75    -60.47                                   
REMARK 500  4 ARG A   5      -69.50   -140.55                                   
REMARK 500  4 LYS A   6      123.35     63.87                                   
REMARK 500  4 ARG A   9       90.09     45.21                                   
REMARK 500  4 PHE A  19      -74.39     67.56                                   
REMARK 500  4 THR A  20      -75.52   -153.71                                   
REMARK 500  4 ASN A  21       39.69    177.85                                   
REMARK 500  4 MET A  22      -62.42   -173.35                                   
REMARK 500  4 PRO A  23       89.62    -63.48                                   
REMARK 500  4 THR A  24      -54.33   -153.80                                   
REMARK 500  4 PHE A  45     -178.03    -56.96                                   
REMARK 500  4 THR A  46       86.60     43.40                                   
REMARK 500  4 THR A  49      -66.52   -136.27                                   
REMARK 500  4 GLN A  58       63.06    177.27                                   
REMARK 500  4 ASP A  60      -41.12   -173.90                                   
REMARK 500  4 THR A  63      176.20     57.55                                   
REMARK 500  4 GLU A  64      -79.60     62.89                                   
REMARK 500  4 HIS A  69       35.66    -88.20                                   
REMARK 500  4 ALA A  70       24.69   -161.91                                   
REMARK 500  4 GLU A  76       30.08    -97.93                                   
REMARK 500  4 THR A  81     -166.99    -62.55                                   
REMARK 500  4 TYR A  92       80.07     57.00                                   
REMARK 500  4 GLN A  93      126.49   -178.88                                   
REMARK 500  4 CYS A  94       87.61    -59.31                                   
REMARK 500  4 TYR A 100       29.77   -142.18                                   
REMARK 500  4 PRO A 103     -168.42    -78.71                                   
REMARK 500  4 ILE A 105       97.53     59.69                                   
REMARK 500  4 SER A 108      -47.23   -150.14                                   
REMARK 500  4 HIS A 109      -62.87   -153.01                                   
REMARK 500  5 ASP A   4      -45.40   -158.73                                   
REMARK 500  5 ARG A   5       92.43   -178.03                                   
REMARK 500  5 ARG A   9       86.08     38.96                                   
REMARK 500  5 PHE A  19      -80.21     63.47                                   
REMARK 500  5 THR A  20      -79.82   -128.00                                   
REMARK 500  5 ASN A  21      -71.25   -105.82                                   
REMARK 500  5 MET A  22       53.33   -163.47                                   
REMARK 500  5 ASP A  60      -38.92   -177.42                                   
REMARK 500  5 THR A  63      -67.84     69.17                                   
REMARK 500  5 ASP A  65       65.43   -103.72                                   
REMARK 500  5 HIS A  69       49.74    -91.69                                   
REMARK 500  5 ALA A  70       29.52   -158.18                                   
REMARK 500  5 TYR A  92       77.83     66.05                                   
REMARK 500  5 GLN A  93      134.69   -177.82                                   
REMARK 500  5 CYS A  94       89.28    -59.60                                   
REMARK 500  5 ILE A 102      135.81     63.66                                   
REMARK 500  5 PRO A 103     -172.44    -67.74                                   
REMARK 500  5 GLN A 104       85.93     60.17                                   
REMARK 500  5 HIS A 107       30.45   -161.49                                   
REMARK 500  5 SER A 108       37.08   -140.21                                   
REMARK 500  6 ARG A   5       90.69   -166.19                                   
REMARK 500  6 ARG A   9       90.90     45.54                                   
REMARK 500  6 PHE A  19      -80.90     62.88                                   
REMARK 500  6 THR A  20      -71.70   -125.15                                   
REMARK 500  6 ASN A  21      -70.99   -110.98                                   
REMARK 500  6 MET A  22       56.10   -167.89                                   
REMARK 500  6 GLN A  58       78.64    172.98                                   
REMARK 500  6 ASP A  60      -51.82   -148.12                                   
REMARK 500  6 ALA A  61       33.57    -99.88                                   
REMARK 500  6 THR A  63      -75.74     65.01                                   
REMARK 500  6 HIS A  69       52.47    -91.35                                   
REMARK 500  6 ALA A  70       33.92   -170.39                                   
REMARK 500  6 THR A  81      170.47    -50.65                                   
REMARK 500  6 TYR A  92       77.76     67.57                                   
REMARK 500  6 GLN A  93      136.44    179.02                                   
REMARK 500  6 CYS A  94       91.34    -58.93                                   
REMARK 500  6 PRO A 103     -171.59    -62.18                                   
REMARK 500  6 GLN A 104      -63.45   -177.36                                   
REMARK 500  7 ARG A   5       75.89   -161.44                                   
REMARK 500  7 ARG A   9       92.62     49.26                                   
REMARK 500  7 PHE A  19      -79.72     63.57                                   
REMARK 500  7 THR A  20      -78.68   -124.98                                   
REMARK 500  7 ASN A  21       31.56   -155.00                                   
REMARK 500  7 THR A  24      -18.05     85.51                                   
REMARK 500  7 THR A  49      -52.24   -125.70                                   
REMARK 500  7 GLN A  58       86.89   -179.20                                   
REMARK 500  7 ASP A  60      -38.73   -178.91                                   
REMARK 500  7 THR A  63      -67.50     68.87                                   
REMARK 500  7 ASP A  65       77.87   -100.39                                   
REMARK 500  7 HIS A  69       55.83    -91.79                                   
REMARK 500  7 ALA A  70       34.27   -174.71                                   
REMARK 500  7 GLU A  76       41.93   -107.03                                   
REMARK 500  7 TYR A  92       83.04     53.36                                   
REMARK 500  7 GLN A  93      131.43   -178.80                                   
REMARK 500  7 CYS A  94       79.15    -68.56                                   
REMARK 500  7 PRO A 103     -168.12    -76.88                                   
REMARK 500  7 HIS A 107      -54.99   -171.36                                   
REMARK 500  8 ARG A   5      -67.17   -151.92                                   
REMARK 500  8 LYS A   6      168.84     59.95                                   
REMARK 500  8 ARG A   9       88.95     43.15                                   
REMARK 500  8 PRO A  18     -166.71    -71.14                                   
REMARK 500  8 PHE A  19      -53.10   -139.85                                   
REMARK 500  8 THR A  20      -67.06   -149.11                                   
REMARK 500  8 ASN A  21      -74.74   -107.97                                   
REMARK 500  8 MET A  22       54.82   -167.44                                   
REMARK 500  8 VAL A  51      107.71   -163.52                                   
REMARK 500  8 GLN A  58       94.93    174.54                                   
REMARK 500  8 PRO A  59       68.67    -69.29                                   
REMARK 500  8 ASP A  60      -73.99   -128.05                                   
REMARK 500  8 THR A  63      160.50     60.75                                   
REMARK 500  8 HIS A  69       51.41    -90.44                                   
REMARK 500  8 ALA A  70       35.06   -172.35                                   
REMARK 500  8 TYR A  92       84.74     58.05                                   
REMARK 500  8 GLN A  93      139.67   -177.53                                   
REMARK 500  8 CYS A  94       74.62    -67.90                                   
REMARK 500  8 ILE A 102      108.14     56.40                                   
REMARK 500  8 HIS A 109       31.65   -159.44                                   
REMARK 500  9 ARG A   5      -76.29   -150.96                                   
REMARK 500  9 LYS A   6      169.74     56.48                                   
REMARK 500  9 ARG A   9       91.87     47.72                                   
REMARK 500  9 PHE A  19      -82.07     62.77                                   
REMARK 500  9 THR A  20      -49.20   -143.71                                   
REMARK 500  9 ASN A  21      -78.53   -116.88                                   
REMARK 500  9 MET A  22       55.78   -170.48                                   
REMARK 500  9 GLN A  58       66.93    176.52                                   
REMARK 500  9 PRO A  59       94.66    -52.58                                   
REMARK 500  9 ASP A  60      -45.47   -159.47                                   
REMARK 500  9 THR A  63       -4.64     78.54                                   
REMARK 500  9 GLU A  64       87.21     51.30                                   
REMARK 500  9 ASP A  65      -56.18   -140.03                                   
REMARK 500  9 ALA A  70       38.32   -178.96                                   
REMARK 500  9 TYR A  92       77.98     73.44                                   
REMARK 500  9 GLN A  93      136.10   -177.43                                   
REMARK 500  9 CYS A  94       86.23    -61.17                                   
REMARK 500  9 PRO A 103     -158.89    -61.96                                   
REMARK 500  9 GLN A 104      -49.67   -170.76                                   
REMARK 500 10 ARG A   5       81.95     58.43                                   
REMARK 500 10 ARG A   9       79.10     28.54                                   
REMARK 500 10 PHE A  19      -80.16     63.18                                   
REMARK 500 10 THR A  20      -73.43   -135.23                                   
REMARK 500 10 ASN A  21       73.82   -177.80                                   
REMARK 500 10 GLN A  58       81.11    169.47                                   
REMARK 500 10 ASP A  60      -41.50   -172.45                                   
REMARK 500 10 THR A  63      -67.97     70.43                                   
REMARK 500 10 ALA A  70       30.32   -169.85                                   
REMARK 500 10 TYR A  92       81.65     68.31                                   
REMARK 500 10 GLN A  93      137.59   -178.45                                   
REMARK 500 10 CYS A  94       85.29    -64.93                                   
REMARK 500 10 GLN A  95      170.34    -58.78                                   
REMARK 500 10 GLN A 104      -40.57   -173.66                                   
REMARK 500 11 ARG A   9       88.87     41.78                                   
REMARK 500 11 PHE A  19      -79.21     63.82                                   
REMARK 500 11 THR A  20      -71.59   -143.69                                   
REMARK 500 11 ASN A  21       42.82   -176.96                                   
REMARK 500 11 MET A  22      -61.11   -177.91                                   
REMARK 500 11 PRO A  23       85.56    -55.69                                   
REMARK 500 11 THR A  24      -69.02   -151.11                                   
REMARK 500 11 ALA A  36     -179.29    -62.51                                   
REMARK 500 11 LEU A  47       74.54     60.82                                   
REMARK 500 11 GLN A  58       89.19   -174.14                                   
REMARK 500 11 PRO A  59       83.86    -69.01                                   
REMARK 500 11 ASP A  60      -46.71   -148.95                                   
REMARK 500 11 THR A  63      -66.94     69.54                                   
REMARK 500 11 ASP A  65       86.06    -64.30                                   
REMARK 500 11 TYR A  92       80.00     58.65                                   
REMARK 500 11 GLN A  93      141.52   -179.18                                   
REMARK 500 11 CYS A  94       83.06    -66.57                                   
REMARK 500 11 ILE A 102       95.79     59.69                                   
REMARK 500 11 PRO A 103      -79.66    -70.82                                   
REMARK 500 11 ILE A 105       71.14     61.98                                   
REMARK 500 12 GLN A   3      -46.99   -141.21                                   
REMARK 500 12 ASP A   4      -64.42   -151.24                                   
REMARK 500 12 ARG A   5      -73.13   -161.02                                   
REMARK 500 12 LYS A   6      136.29     62.58                                   
REMARK 500 12 ARG A   9       90.44     44.96                                   
REMARK 500 12 PHE A  19      -72.23   -103.20                                   
REMARK 500 12 THR A  20       29.27   -146.96                                   
REMARK 500 12 THR A  24       -4.26     76.47                                   
REMARK 500 12 GLU A  41     -174.85    178.30                                   
REMARK 500 12 THR A  49       25.49   -140.67                                   
REMARK 500 12 GLN A  58       88.08   -176.95                                   
REMARK 500 12 ASP A  60      -67.28   -133.38                                   
REMARK 500 12 THR A  63     -168.58     46.16                                   
REMARK 500 12 ALA A  70       34.93   -173.49                                   
REMARK 500 12 TYR A  92       76.63     57.64                                   
REMARK 500 12 GLN A  93      133.87   -176.59                                   
REMARK 500 12 CYS A  94       97.93    -59.15                                   
REMARK 500 12 GLN A 104      -64.50   -144.01                                   
REMARK 500 12 PRO A 106       90.93    -51.38                                   
REMARK 500 12 HIS A 107      122.22   -176.71                                   
REMARK 500 12 HIS A 109      -71.72   -145.33                                   
REMARK 500 13 ASP A   4      -62.34   -137.92                                   
REMARK 500 13 ARG A   5       82.87   -174.91                                   
REMARK 500 13 ARG A   9       86.75     40.80                                   
REMARK 500 13 PHE A  19      -81.63     63.27                                   
REMARK 500 13 THR A  20      -54.89   -139.56                                   
REMARK 500 13 ASN A  21      -74.90   -111.51                                   
REMARK 500 13 MET A  22       57.80   -174.20                                   
REMARK 500 13 PHE A  45      100.72    -56.99                                   
REMARK 500 13 THR A  46      148.86   -177.27                                   
REMARK 500 13 LEU A  47      -41.14   -174.27                                   
REMARK 500 13 GLN A  58       67.18    173.89                                   
REMARK 500 13 PRO A  59      107.57    -52.02                                   
REMARK 500 13 ASP A  60      -43.76   -167.21                                   
REMARK 500 13 THR A  63      -77.73   -177.45                                   
REMARK 500 13 GLU A  64       31.97   -161.22                                   
REMARK 500 13 ASP A  65       72.40     61.33                                   
REMARK 500 13 ASN A  66      -66.01    -93.42                                   
REMARK 500 13 HIS A  69       49.20    -87.62                                   
REMARK 500 13 ALA A  70       22.40   -153.93                                   
REMARK 500 13 ALA A  77      170.26    -55.56                                   
REMARK 500 13 TYR A  92       79.77     64.90                                   
REMARK 500 13 GLN A  93      129.47   -177.07                                   
REMARK 500 13 CYS A  94       85.58    -64.14                                   
REMARK 500 13 ILE A 102      103.56     56.79                                   
REMARK 500 13 GLN A 104       31.40   -149.10                                   
REMARK 500 13 SER A 108      -71.65    -96.19                                   
REMARK 500 14 ASP A   4     -179.41   -177.63                                   
REMARK 500 14 ARG A   5       54.47   -151.90                                   
REMARK 500 14 ARG A   9       86.46     39.30                                   
REMARK 500 14 PHE A  19      -76.54     67.73                                   
REMARK 500 14 THR A  20      -56.61   -133.89                                   
REMARK 500 14 ASN A  21      -80.23   -126.17                                   
REMARK 500 14 MET A  22       50.48   -158.62                                   
REMARK 500 14 GLN A  58       72.25   -179.17                                   
REMARK 500 14 PRO A  59      106.77    -50.25                                   
REMARK 500 14 ASP A  60      -40.81   -174.80                                   
REMARK 500 14 THR A  63      153.61     61.84                                   
REMARK 500 14 ASP A  65      -63.52   -156.74                                   
REMARK 500 14 HIS A  69       52.68    -91.83                                   
REMARK 500 14 ALA A  70       34.18   -173.23                                   
REMARK 500 14 TYR A  92       83.15     65.74                                   
REMARK 500 14 GLN A  93      133.93   -177.11                                   
REMARK 500 14 CYS A  94       78.56    -65.23                                   
REMARK 500 14 ILE A 102      107.98     59.59                                   
REMARK 500 14 PRO A 103      -77.91    -64.72                                   
REMARK 500 15 ASP A   4      -43.70   -144.39                                   
REMARK 500 15 ARG A   9       87.97     42.74                                   
REMARK 500 15 PHE A  19      -81.82     62.96                                   
REMARK 500 15 THR A  20      -55.56   -173.10                                   
REMARK 500 15 THR A  24      -32.41     84.09                                   
REMARK 500 15 GLN A  58       80.47    178.66                                   
REMARK 500 15 ASP A  60      -42.14   -173.52                                   
REMARK 500 15 THR A  63      159.02     63.88                                   
REMARK 500 15 ASP A  65      -49.30   -139.44                                   
REMARK 500 15 HIS A  69       51.28    -91.31                                   
REMARK 500 15 ALA A  70       40.88   -175.82                                   
REMARK 500 15 TYR A  92       82.86     53.50                                   
REMARK 500 15 GLN A  93      128.60   -178.68                                   
REMARK 500 15 CYS A  94       86.67    -66.08                                   
REMARK 500 15 HIS A 109     -178.87    -69.90                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1JNX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1KZY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1CDZ   RELATED DB: PDB                                   
DBREF  1OQA A    2   110  UNP    P38398   BRCA1_HUMAN   1755   1863             
SEQADV 1OQA GLY A    1  UNP  P38398              CLONING ARTIFACT               
SEQRES   1 A  110  GLY SER GLN ASP ARG LYS ILE PHE ARG GLY LEU GLU ILE          
SEQRES   2 A  110  CYS CYS TYR GLY PRO PHE THR ASN MET PRO THR ASP GLN          
SEQRES   3 A  110  LEU GLU TRP MET VAL GLN LEU CYS GLY ALA SER VAL VAL          
SEQRES   4 A  110  LYS GLU LEU SER SER PHE THR LEU GLY THR GLY VAL HIS          
SEQRES   5 A  110  PRO ILE VAL VAL VAL GLN PRO ASP ALA TRP THR GLU ASP          
SEQRES   6 A  110  ASN GLY PHE HIS ALA ILE GLY GLN MET CYS GLU ALA PRO          
SEQRES   7 A  110  VAL VAL THR ARG GLU TRP VAL LEU ASP SER VAL ALA LEU          
SEQRES   8 A  110  TYR GLN CYS GLN GLU LEU ASP THR TYR LEU ILE PRO GLN          
SEQRES   9 A  110  ILE PRO HIS SER HIS TYR                                      
HELIX    1   1 THR A   24  CYS A   34  1                                  11    
HELIX    2   2 ALA A   70  CYS A   75  1                                   6    
HELIX    3   3 ARG A   82  TYR A   92  1                                  11    
HELIX    4   4 GLU A   96  TYR A  100  5                                   5    
SHEET    1   A 4 ALA A  36  VAL A  38  0                                        
SHEET    2   A 4 LEU A  11  CYS A  15  1  N  ILE A  13   O  SER A  37           
SHEET    3   A 4 HIS A  52  VAL A  57  1  O  VAL A  56   N  CYS A  14           
SHEET    4   A 4 VAL A  79  THR A  81  1  O  VAL A  80   N  VAL A  55           
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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