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Database: PDB
Entry: 1XNT
LinkDB: 1XNT
Original site: 1XNT 
HEADER    DNA BINDING PROTEIN                     27-FEB-99   1XNT              
TITLE     NMR SOLUTION STRUCTURE OF THE SINGLE-STRAND BREAK REPAIR              
TITLE    2 PROTEIN XRCC1-N-TERMINAL DOMAIN                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (DNA-REPAIR PROTEIN XRCC1);                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1-183. RESIDUES 152-           
COMPND   5 183 ARE DISORDERED AND NOT SHOWN.;                                   
COMPND   6 SYNONYM: XRCC1-NTD;                                                  
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELLULAR_LOCATION: NUCLEUS;                                          
SOURCE   6 GENE: XRCC1;                                                         
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21[DE3]PLYSS;                            
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET23A                                    
KEYWDS    XRCC1, 3D NMR, DNA REPAIR, SINGLE-STRAND BREAK DNA BINDING,           
KEYWDS   2 DNA POLYMERASE- BETA BINDING, BETA SANDWICH, DNA BINDING             
KEYWDS   3 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    23                                                                    
AUTHOR    A.MARINTCHEV,G.P.MULLEN                                               
REVDAT   3   24-FEB-09 1XNT    1       VERSN                                    
REVDAT   2   01-APR-03 1XNT    1       JRNL                                     
REVDAT   1   01-SEP-99 1XNT    0                                                
JRNL        AUTH   A.MARINTCHEV,M.A.MULLEN,M.W.MACIEJEWSKI,B.PAN,               
JRNL        AUTH 2 M.R.GRYK,G.P.MULLEN                                          
JRNL        TITL   SOLUTION STRUCTURE OF THE SINGLE-STRAND BREAK                
JRNL        TITL 2 REPAIR PROTEIN XRCC1 N-TERMINAL DOMAIN.                      
JRNL        REF    NAT.STRUCT.BIOL.              V.   6   884 1999              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   10467102                                                     
JRNL        DOI    10.1038/12347                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN        
REMARK   3  THE JRNL CITATION ABOVE. RMSD (ANGSTROMS) WITH RESPECT TO           
REMARK   3  MEAN: BETA-STRANDS: HEAVY BACKBONE ATOMS 0.26 +/- 0.05; ALL         
REMARK   3  HEAVY ATOMS 0.69 +/- 0.13. RESIDUES 3-76, 83-151 (EXCLUDING         
REMARK   3  THE FLEXIBLE 77-82) : HEAVY BACKBONE ATOMS 0.42 +/- 0.09; ALL       
REMARK   3  HEAVY ATOMS 0.87 +/- 0.12.                                          
REMARK   4                                                                      
REMARK   4 1XNT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-99.                  
REMARK 100 THE RCSB ID CODE IS RCSB000559.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : 0.4                                
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : H2O AND D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D HNCACB, CBCA(CO)NH, HN(CO)      
REMARK 210                                   CA, 15N-EDITED TOCSY, HCC(CO)      
REMARK 210                                   NH, HCCH TOCSY, HNCO, HNHA,        
REMARK 210                                   HNHB, 2D (HB)CB(CGCD)HD, 1H-       
REMARK 210                                   15N-HSQC, 1H-13C-HSQC, 1H-         
REMARK 210                                   TOCSY, AROMATIC 1H-13C-HSQC,       
REMARK 210                                   HMQC-J, 3D 15N-NOESY, 3D 13C-      
REMARK 210                                   NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA 1.5                          
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 60                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 23                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : 30 OUT OF 60 STRUCTURES IN         
REMARK 210                                   DYANA, CRITERION: TARGET           
REMARK 210                                   FUNCTION. X-PLOR REFINEMENT:       
REMARK 210                                   23 OUT OF 30 STRUCTURES,           
REMARK 210                                   CRITERIA: NO NOE RESTRAINT         
REMARK 210                                   VIOLATIONS > 0.5 A AND NO          
REMARK 210                                   DIHEDRAL ANGLE RESTRAINT           
REMARK 210                                   VIOLATIONS > 5 DEG.                
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE- AND DOUBLE-       
REMARK 210  RESONANCE NMR SPECTROSCOPY ON 13C-, 15N-LABELED XRCC1-N-            
REMARK 210  TERMINAL DOMAIN                                                     
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 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 1-23                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     PRO A   152                                                      
REMARK 465     PRO A   153                                                      
REMARK 465     ASP A   154                                                      
REMARK 465     LYS A   155                                                      
REMARK 465     ASP A   156                                                      
REMARK 465     GLU A   157                                                      
REMARK 465     ALA A   158                                                      
REMARK 465     GLU A   159                                                      
REMARK 465     ALA A   160                                                      
REMARK 465     PRO A   161                                                      
REMARK 465     SER A   162                                                      
REMARK 465     GLN A   163                                                      
REMARK 465     LYS A   164                                                      
REMARK 465     VAL A   165                                                      
REMARK 465     THR A   166                                                      
REMARK 465     VAL A   167                                                      
REMARK 465     THR A   168                                                      
REMARK 465     LYS A   169                                                      
REMARK 465     LEU A   170                                                      
REMARK 465     GLY A   171                                                      
REMARK 465     GLN A   172                                                      
REMARK 465     PHE A   173                                                      
REMARK 465     ARG A   174                                                      
REMARK 465     VAL A   175                                                      
REMARK 465     LYS A   176                                                      
REMARK 465     GLU A   177                                                      
REMARK 465     GLU A   178                                                      
REMARK 465     GLU A   179                                                      
REMARK 465     GLU A   180                                                      
REMARK 465     SER A   181                                                      
REMARK 465     ALA A   182                                                      
REMARK 465     ASN A   183                                                      
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  14       73.42    154.40                                   
REMARK 500  1 SER A  17      -63.86    -96.47                                   
REMARK 500  1 LYS A  26       73.61   -119.99                                   
REMARK 500  1 ASP A  28     -116.34    -67.33                                   
REMARK 500  1 THR A  29     -107.78     50.47                                   
REMARK 500  1 TYR A  30       37.42   -179.02                                   
REMARK 500  1 GLU A  40       83.87    -54.39                                   
REMARK 500  1 GLU A  50       -2.60    -56.45                                   
REMARK 500  1 ASP A  63       65.83   -111.71                                   
REMARK 500  1 ALA A  66      -50.17   -135.94                                   
REMARK 500  1 GLN A  82       21.04   -149.55                                   
REMARK 500  1 VAL A  86       88.25    -62.99                                   
REMARK 500  1 VAL A  89     -175.58    -55.46                                   
REMARK 500  1 MET A  94     -157.48   -120.08                                   
REMARK 500  1 SER A 103       89.02    -63.93                                   
REMARK 500  1 ASN A 104       82.03     48.99                                   
REMARK 500  1 GLN A 134      114.88    162.04                                   
REMARK 500  1 LYS A 138      -43.20   -163.18                                   
REMARK 500  1 PHE A 142     -163.53    176.80                                   
REMARK 500  2 SER A  14       74.33    152.73                                   
REMARK 500  2 LYS A  26       62.95   -107.31                                   
REMARK 500  2 THR A  29      -82.74   -156.54                                   
REMARK 500  2 TYR A  30      -38.36   -177.88                                   
REMARK 500  2 GLU A  40       89.85    -48.04                                   
REMARK 500  2 GLU A  50       -9.30    -51.73                                   
REMARK 500  2 ALA A  66      -55.84   -123.37                                   
REMARK 500  2 VAL A  86       86.18    -63.17                                   
REMARK 500  2 VAL A  89     -179.84    -53.13                                   
REMARK 500  2 ARG A 100      -86.43    -73.88                                   
REMARK 500  2 SER A 101       38.80   -161.99                                   
REMARK 500  2 SER A 103      117.24   -175.49                                   
REMARK 500  2 ASN A 104       72.61     40.68                                   
REMARK 500  2 GLN A 134      134.11    157.70                                   
REMARK 500  2 LYS A 138      -41.18   -170.38                                   
REMARK 500  2 PHE A 142     -164.63   -179.74                                   
REMARK 500  3 GLU A   3     -165.55    -79.16                                   
REMARK 500  3 ARG A   7      -51.44   -121.84                                   
REMARK 500  3 SER A  13       59.77   -141.75                                   
REMARK 500  3 SER A  14       59.03    157.22                                   
REMARK 500  3 LYS A  26       68.55   -115.18                                   
REMARK 500  3 THR A  29      -83.06   -156.01                                   
REMARK 500  3 TYR A  30      -37.12   -177.80                                   
REMARK 500  3 GLU A  40      -88.30    -34.11                                   
REMARK 500  3 LYS A  41      -60.07     72.02                                   
REMARK 500  3 GLU A  50        2.59    -59.84                                   
REMARK 500  3 LYS A  51      134.44   -175.97                                   
REMARK 500  3 ALA A  66      -53.45   -141.83                                   
REMARK 500  3 GLN A  82       35.36    -95.78                                   
REMARK 500  3 VAL A  86       85.28    -61.58                                   
REMARK 500  3 VAL A  89     -171.10    -68.73                                   
REMARK 500  3 MET A  94     -166.01   -121.01                                   
REMARK 500  3 SER A  97      -54.88   -120.28                                   
REMARK 500  3 ARG A 100      -87.01    -80.95                                   
REMARK 500  3 SER A 101       37.73   -163.44                                   
REMARK 500  3 SER A 103      -86.09   -170.41                                   
REMARK 500  3 ASP A 126       15.10   -140.15                                   
REMARK 500  3 GLN A 134      135.04    171.41                                   
REMARK 500  3 TYR A 136       15.20   -147.27                                   
REMARK 500  3 LYS A 138      -39.12   -177.96                                   
REMARK 500  3 PHE A 142     -166.99   -178.95                                   
REMARK 500  4 PRO A   2       46.83    -87.80                                   
REMARK 500  4 SER A  14       70.42    152.08                                   
REMARK 500  4 LYS A  26       65.31   -115.80                                   
REMARK 500  4 THR A  29      -85.28   -157.02                                   
REMARK 500  4 TYR A  30       34.10   -177.48                                   
REMARK 500  4 LYS A  32     -169.04   -127.35                                   
REMARK 500  4 LYS A  37     -153.52    -95.90                                   
REMARK 500  4 GLU A  40       93.03     46.08                                   
REMARK 500  4 LYS A  41      -72.08   -133.41                                   
REMARK 500  4 GLU A  50       37.89    -79.63                                   
REMARK 500  4 LYS A  51      127.54    165.58                                   
REMARK 500  4 ASP A  63       34.47    -97.32                                   
REMARK 500  4 SER A  65     -171.14    -60.78                                   
REMARK 500  4 ALA A  66      -40.88   -133.96                                   
REMARK 500  4 ALA A  76     -174.51    -56.29                                   
REMARK 500  4 VAL A  86       86.05    -62.39                                   
REMARK 500  4 VAL A  89      173.29    -59.01                                   
REMARK 500  4 SER A  97      -53.52   -120.31                                   
REMARK 500  4 ARG A 100      -85.31    -85.66                                   
REMARK 500  4 SER A 101       37.47   -164.06                                   
REMARK 500  4 SER A 103      -83.14   -174.06                                   
REMARK 500  4 GLN A 134      113.10    148.53                                   
REMARK 500  4 LYS A 138      -30.16   -137.03                                   
REMARK 500  4 PHE A 142     -160.32   -178.69                                   
REMARK 500  5 SER A  14       53.76    153.40                                   
REMARK 500  5 SER A  17      -68.73    -95.45                                   
REMARK 500  5 HIS A  19       71.41   -101.00                                   
REMARK 500  5 THR A  29       31.18   -161.57                                   
REMARK 500  5 TYR A  30       25.57     47.15                                   
REMARK 500  5 GLU A  40       84.83     40.09                                   
REMARK 500  5 THR A  42      106.34   -160.49                                   
REMARK 500  5 GLU A  50       -7.31    -53.10                                   
REMARK 500  5 ALA A  66      -47.56   -140.07                                   
REMARK 500  5 GLN A  82      -46.01   -153.81                                   
REMARK 500  5 TYR A  84      165.28     59.24                                   
REMARK 500  5 VAL A  86       86.86    -61.10                                   
REMARK 500  5 VAL A  89      172.59    -57.55                                   
REMARK 500  5 MET A  94     -165.70   -120.82                                   
REMARK 500  5 ARG A 100      -87.49    -85.12                                   
REMARK 500  5 SER A 101       37.37   -163.64                                   
REMARK 500  5 SER A 103      -83.48   -172.38                                   
REMARK 500  5 GLN A 134      137.95    150.03                                   
REMARK 500  5 PHE A 142     -163.02   -169.76                                   
REMARK 500  5 PHE A 146      179.31    175.88                                   
REMARK 500  6 SER A  14       94.06    154.56                                   
REMARK 500  6 SER A  17      -60.21    -90.61                                   
REMARK 500  6 LYS A  26       64.07   -109.44                                   
REMARK 500  6 THR A  29      -84.03   -155.13                                   
REMARK 500  6 TYR A  30      -36.22   -179.23                                   
REMARK 500  6 LYS A  32     -165.81   -127.42                                   
REMARK 500  6 GLU A  40       89.04    -47.71                                   
REMARK 500  6 GLU A  50       41.34    -81.40                                   
REMARK 500  6 LYS A  51      128.90    164.80                                   
REMARK 500  6 ASP A  63       50.40    -96.06                                   
REMARK 500  6 ALA A  66      -51.79   -121.83                                   
REMARK 500  6 ALA A  79       37.45   -177.27                                   
REMARK 500  6 VAL A  86       88.00    -61.16                                   
REMARK 500  6 VAL A  89      174.79    -51.34                                   
REMARK 500  6 MET A  94     -167.90   -122.11                                   
REMARK 500  6 ARG A 100      -77.99    -68.37                                   
REMARK 500  6 SER A 101       38.91   -161.96                                   
REMARK 500  6 SER A 103      120.62   -179.54                                   
REMARK 500  6 ARG A 107     -164.13   -128.22                                   
REMARK 500  6 GLN A 134      128.77    165.14                                   
REMARK 500  6 LYS A 138      -42.77   -153.33                                   
REMARK 500  6 PHE A 142     -166.03    170.26                                   
REMARK 500  6 ARG A 148      101.22   -160.49                                   
REMARK 500  7 SER A  13       43.70   -105.95                                   
REMARK 500  7 SER A  14      100.51    153.05                                   
REMARK 500  7 SER A  17      -70.37    -95.51                                   
REMARK 500  7 THR A  29      -96.70   -172.71                                   
REMARK 500  7 TYR A  30       29.70   -166.42                                   
REMARK 500  7 LYS A  32     -159.57   -160.21                                   
REMARK 500  7 LYS A  37     -165.80   -114.47                                   
REMARK 500  7 ALA A  38     -162.30   -114.26                                   
REMARK 500  7 GLU A  40       91.46    -43.10                                   
REMARK 500  7 GLU A  50       36.91    -79.57                                   
REMARK 500  7 LYS A  51      138.31    163.22                                   
REMARK 500  7 SER A  65     -175.10    -64.79                                   
REMARK 500  7 ALA A  66      -55.23   -148.58                                   
REMARK 500  7 VAL A  86       88.98    -63.16                                   
REMARK 500  7 VAL A  89     -178.38    -54.10                                   
REMARK 500  7 ARG A 100      -82.38    -62.55                                   
REMARK 500  7 SER A 101       38.52   -161.69                                   
REMARK 500  7 SER A 103      119.74   -178.08                                   
REMARK 500  7 ASN A 104       64.35     39.98                                   
REMARK 500  7 ARG A 107     -169.56   -111.83                                   
REMARK 500  7 GLN A 134      131.30    149.07                                   
REMARK 500  7 LYS A 138      -43.77   -164.23                                   
REMARK 500  7 PHE A 142     -162.55    171.20                                   
REMARK 500  8 SER A  14       73.76    151.85                                   
REMARK 500  8 HIS A  19       78.81   -107.25                                   
REMARK 500  8 LYS A  26       66.31   -118.80                                   
REMARK 500  8 ASP A  28       74.30   -103.08                                   
REMARK 500  8 THR A  29      -98.70   -156.93                                   
REMARK 500  8 TYR A  30       44.28    176.25                                   
REMARK 500  8 ALA A  35      168.81    -49.21                                   
REMARK 500  8 GLU A  40       89.38    -43.03                                   
REMARK 500  8 LYS A  41      -64.32    -93.44                                   
REMARK 500  8 GLU A  50       31.27    -78.36                                   
REMARK 500  8 LYS A  51      138.79    165.01                                   
REMARK 500  8 SER A  65     -173.90    -56.76                                   
REMARK 500  8 ALA A  66      -44.43   -147.42                                   
REMARK 500  8 ALA A  76      175.02    -57.54                                   
REMARK 500  8 VAL A  86       86.22    -68.93                                   
REMARK 500  8 VAL A  89      174.42    -50.86                                   
REMARK 500  8 ARG A 100      -86.99    -71.44                                   
REMARK 500  8 SER A 101       38.70   -162.61                                   
REMARK 500  8 SER A 103      119.51   -175.93                                   
REMARK 500  8 ASN A 104       70.31     40.86                                   
REMARK 500  8 GLN A 134      134.01    157.02                                   
REMARK 500  8 LYS A 138      -43.35   -161.31                                   
REMARK 500  8 PHE A 142     -168.49   -161.48                                   
REMARK 500  9 GLU A   3     -160.91    -79.39                                   
REMARK 500  9 HIS A   8     -168.73   -160.85                                   
REMARK 500  9 SER A  13       53.85   -151.84                                   
REMARK 500  9 SER A  14       64.88    153.81                                   
REMARK 500  9 SER A  17      -66.95   -103.87                                   
REMARK 500  9 LYS A  26       66.12   -117.70                                   
REMARK 500  9 ASP A  28       77.39   -118.91                                   
REMARK 500  9 THR A  29      -85.57   -154.28                                   
REMARK 500  9 TYR A  30       36.21   -178.22                                   
REMARK 500  9 ALA A  35      158.77    -48.29                                   
REMARK 500  9 GLU A  40       86.87    -51.92                                   
REMARK 500  9 GLU A  50       -7.73    -52.59                                   
REMARK 500  9 ASP A  63       56.96    -94.70                                   
REMARK 500  9 ALA A  66      -58.72   -123.46                                   
REMARK 500  9 ALA A  79       39.86    178.42                                   
REMARK 500  9 GLU A  81      -81.87     63.94                                   
REMARK 500  9 VAL A  86       88.49    -61.76                                   
REMARK 500  9 VAL A  89      178.27    -52.29                                   
REMARK 500  9 ARG A 100      -92.33    -87.96                                   
REMARK 500  9 SER A 101       38.10   -163.36                                   
REMARK 500  9 SER A 103      115.77   -177.93                                   
REMARK 500  9 ASN A 104       73.55     40.27                                   
REMARK 500  9 GLN A 134      123.28    148.40                                   
REMARK 500  9 LYS A 138      -41.13   -168.75                                   
REMARK 500  9 PHE A 142     -169.86   -179.35                                   
REMARK 500 10 SER A  13       58.22   -148.90                                   
REMARK 500 10 SER A  14       58.21    153.78                                   
REMARK 500 10 SER A  17      -64.25    -99.06                                   
REMARK 500 10 LYS A  26       65.42   -114.58                                   
REMARK 500 10 ASP A  28       79.95   -116.31                                   
REMARK 500 10 THR A  29      -90.80   -157.20                                   
REMARK 500 10 TYR A  30       32.76   -178.06                                   
REMARK 500 10 LYS A  32     -160.41   -126.81                                   
REMARK 500 10 LYS A  37     -158.94    -91.02                                   
REMARK 500 10 GLU A  40      117.72     59.52                                   
REMARK 500 10 LYS A  41      -71.87   -151.70                                   
REMARK 500 10 GLU A  50       43.12    -81.96                                   
REMARK 500 10 LYS A  51      118.37    163.59                                   
REMARK 500 10 GLN A  82       29.49     38.42                                   
REMARK 500 10 TYR A  84      160.20    -48.24                                   
REMARK 500 10 VAL A  86       86.22    -61.58                                   
REMARK 500 10 VAL A  89      179.21    -53.93                                   
REMARK 500 10 ARG A 100      -86.08    -85.95                                   
REMARK 500 10 SER A 101       37.53   -164.44                                   
REMARK 500 10 SER A 103      -33.18   -176.18                                   
REMARK 500 10 ASN A 104       90.33   -178.40                                   
REMARK 500 10 ARG A 107     -169.80   -160.21                                   
REMARK 500 10 GLN A 134      125.26    148.09                                   
REMARK 500 10 SER A 137     -160.63   -165.39                                   
REMARK 500 10 LYS A 138       23.98   -151.95                                   
REMARK 500 10 ASP A 139      -40.85   -149.05                                   
REMARK 500 10 PRO A 141     -159.67    -84.30                                   
REMARK 500 10 PHE A 142     -165.01   -178.85                                   
REMARK 500 11 GLU A   3     -168.79    -79.02                                   
REMARK 500 11 SER A  13       57.19   -118.53                                   
REMARK 500 11 SER A  14       88.68    154.33                                   
REMARK 500 11 LYS A  26       65.23   -116.31                                   
REMARK 500 11 THR A  29      -88.59   -152.52                                   
REMARK 500 11 TYR A  30       36.67   -178.36                                   
REMARK 500 11 GLU A  40       78.89    -62.10                                   
REMARK 500 11 GLU A  50       41.60    -79.89                                   
REMARK 500 11 LYS A  51      136.20    161.98                                   
REMARK 500 11 ALA A  76      -76.19    -73.69                                   
REMARK 500 11 ALA A  79      -47.07   -130.22                                   
REMARK 500 11 VAL A  86       88.68    -61.51                                   
REMARK 500 11 VAL A  89      172.23    -56.81                                   
REMARK 500 11 MET A  94     -163.31   -120.78                                   
REMARK 500 11 ARG A 100      -85.79    -71.12                                   
REMARK 500 11 SER A 101       38.88   -161.27                                   
REMARK 500 11 SER A 103      121.55   -176.90                                   
REMARK 500 11 ASN A 104       83.92     43.16                                   
REMARK 500 11 GLN A 134      141.44    170.44                                   
REMARK 500 11 LYS A 138      -47.34   -149.33                                   
REMARK 500 11 PHE A 142     -157.59    170.03                                   
REMARK 500 12 SER A  13       49.71   -145.72                                   
REMARK 500 12 SER A  14       86.12    152.00                                   
REMARK 500 12 ASP A  28     -119.08    -66.64                                   
REMARK 500 12 THR A  29     -105.78     51.72                                   
REMARK 500 12 TYR A  30       40.97   -178.71                                   
REMARK 500 12 LYS A  32     -159.72   -132.05                                   
REMARK 500 12 LYS A  37     -152.69    -82.91                                   
REMARK 500 12 GLU A  50       37.77    -80.34                                   
REMARK 500 12 LYS A  51      126.74    165.67                                   
REMARK 500 12 ASP A  63      -89.73    -70.82                                   
REMARK 500 12 SER A  65     -175.46    -52.91                                   
REMARK 500 12 ALA A  66      -54.83   -150.70                                   
REMARK 500 12 ALA A  79      -48.83   -177.10                                   
REMARK 500 12 VAL A  86       85.27    -65.19                                   
REMARK 500 12 MET A  94     -168.90   -122.55                                   
REMARK 500 12 ARG A 100      -86.71    -69.28                                   
REMARK 500 12 SER A 101       38.95   -161.95                                   
REMARK 500 12 SER A 103      121.91   -177.05                                   
REMARK 500 12 ARG A 107     -157.91   -160.89                                   
REMARK 500 12 GLN A 134       69.60    173.91                                   
REMARK 500 12 PRO A 135       92.04    -67.21                                   
REMARK 500 12 LYS A 138      -33.52   -133.54                                   
REMARK 500 12 PHE A 142     -160.48   -179.47                                   
REMARK 500 13 SER A  13       46.72   -141.12                                   
REMARK 500 13 SER A  14       86.98    152.88                                   
REMARK 500 13 SER A  17      -68.04    -93.49                                   
REMARK 500 13 LYS A  26       60.81   -108.25                                   
REMARK 500 13 ASP A  28       64.81   -108.05                                   
REMARK 500 13 THR A  29      -90.62   -152.68                                   
REMARK 500 13 TYR A  30       33.78   -178.10                                   
REMARK 500 13 GLU A  40       89.65    -48.28                                   
REMARK 500 13 GLU A  50       37.15    -80.18                                   
REMARK 500 13 LYS A  51      137.68    161.91                                   
REMARK 500 13 SER A  65     -172.89    -58.37                                   
REMARK 500 13 ALA A  66      -52.81   -155.00                                   
REMARK 500 13 ALA A  76      -72.38    -61.69                                   
REMARK 500 13 VAL A  86       87.52    -59.34                                   
REMARK 500 13 VAL A  89     -177.12    -54.72                                   
REMARK 500 13 ARG A 100      -85.99    -68.30                                   
REMARK 500 13 SER A 101       38.93   -162.52                                   
REMARK 500 13 SER A 103      117.43   -174.35                                   
REMARK 500 13 ASN A 104       72.71     39.76                                   
REMARK 500 13 GLN A 134      138.94    160.29                                   
REMARK 500 13 LYS A 138      -39.36   -173.44                                   
REMARK 500 13 PHE A 142     -164.46   -171.44                                   
REMARK 500 13 PHE A 146      178.11    179.07                                   
REMARK 500 14 SER A  13       51.91   -152.31                                   
REMARK 500 14 SER A  14       65.96    153.63                                   
REMARK 500 14 SER A  17      -64.12    -91.13                                   
REMARK 500 14 LYS A  26       62.69   -109.23                                   
REMARK 500 14 ASP A  28       78.15   -118.31                                   
REMARK 500 14 THR A  29      -91.25   -157.29                                   
REMARK 500 14 TYR A  30       33.94   -178.27                                   
REMARK 500 14 LYS A  37     -152.03    -77.65                                   
REMARK 500 14 LYS A  41     -103.68   -107.84                                   
REMARK 500 14 GLU A  50       -8.43    -52.29                                   
REMARK 500 14 ALA A  66      -57.37   -139.32                                   
REMARK 500 14 ALA A  76      -78.45    -55.55                                   
REMARK 500 14 GLU A  81      128.06     64.50                                   
REMARK 500 14 VAL A  86       89.72    -58.08                                   
REMARK 500 14 VAL A  89     -177.54    -54.76                                   
REMARK 500 14 ARG A 100      -78.09    -94.54                                   
REMARK 500 14 SER A 101       37.17   -162.80                                   
REMARK 500 14 SER A 103      -82.81    179.27                                   
REMARK 500 14 GLN A 134      136.11    149.32                                   
REMARK 500 14 SER A 137     -162.69   -168.30                                   
REMARK 500 14 LYS A 138      -39.34   -138.89                                   
REMARK 500 14 PHE A 142     -163.27    173.14                                   
REMARK 500 14 PHE A 146      178.95    177.08                                   
REMARK 500 15 SER A  14       45.20    154.23                                   
REMARK 500 15 SER A  17      -68.71    -99.38                                   
REMARK 500 15 HIS A  19       70.11   -116.56                                   
REMARK 500 15 LYS A  26       66.67   -112.25                                   
REMARK 500 15 THR A  29     -152.56   -160.00                                   
REMARK 500 15 LYS A  32     -160.24   -127.80                                   
REMARK 500 15 GLU A  40       89.90    -46.12                                   
REMARK 500 15 GLU A  50       26.55    -76.52                                   
REMARK 500 15 LYS A  51      132.86    167.10                                   
REMARK 500 15 ASP A  63       61.72   -105.45                                   
REMARK 500 15 ALA A  66      -52.71   -139.88                                   
REMARK 500 15 GLU A  81      -63.04     69.84                                   
REMARK 500 15 GLN A  82       39.29    -93.70                                   
REMARK 500 15 VAL A  86       85.47    -61.12                                   
REMARK 500 15 VAL A  89      172.10    -55.92                                   
REMARK 500 15 MET A  94     -165.28   -120.40                                   
REMARK 500 15 ARG A 100      -84.43    -74.50                                   
REMARK 500 15 SER A 101       37.29   -163.59                                   
REMARK 500 15 SER A 103      -86.19   -174.37                                   
REMARK 500 15 GLN A 134      133.46    166.43                                   
REMARK 500 15 LYS A 138      -42.07   -156.96                                   
REMARK 500 15 PHE A 142     -171.90    178.93                                   
REMARK 500 16 ARG A   7      -65.01    -91.94                                   
REMARK 500 16 SER A  14       77.72    153.84                                   
REMARK 500 16 SER A  17      -69.41    -93.45                                   
REMARK 500 16 THR A  29       31.30   -162.22                                   
REMARK 500 16 TYR A  30       25.18     46.99                                   
REMARK 500 16 LYS A  37     -157.66   -101.24                                   
REMARK 500 16 GLU A  40      104.11     51.79                                   
REMARK 500 16 GLU A  50       45.62    -81.68                                   
REMARK 500 16 LYS A  51      126.28    160.00                                   
REMARK 500 16 ALA A  66      -51.65   -142.88                                   
REMARK 500 16 VAL A  86       86.27    -62.32                                   
REMARK 500 16 VAL A  89      172.71    -57.42                                   
REMARK 500 16 MET A  94     -162.71   -122.03                                   
REMARK 500 16 ARG A 100      -83.66    -67.45                                   
REMARK 500 16 SER A 101       38.79   -162.28                                   
REMARK 500 16 SER A 103      119.63   -176.96                                   
REMARK 500 16 GLN A 134      134.79    151.19                                   
REMARK 500 16 ASP A 139      -77.02   -133.01                                   
REMARK 500 16 PHE A 142     -166.11   -173.55                                   
REMARK 500 17 SER A  13       47.38   -104.67                                   
REMARK 500 17 SER A  14      111.17    151.87                                   
REMARK 500 17 LYS A  26       65.85   -113.12                                   
REMARK 500 17 LYS A  37     -156.80    -95.28                                   
REMARK 500 17 GLU A  50       -6.52    -54.06                                   
REMARK 500 17 ALA A  66      -56.05   -134.80                                   
REMARK 500 17 ALA A  76      -77.50    -59.10                                   
REMARK 500 17 ASP A  83       43.09   -100.13                                   
REMARK 500 17 VAL A  86       87.35    -60.06                                   
REMARK 500 17 VAL A  89     -177.00    -55.25                                   
REMARK 500 17 SER A  97      -50.94   -120.12                                   
REMARK 500 17 ARG A 100      -73.17    -91.55                                   
REMARK 500 17 SER A 101       37.48   -163.07                                   
REMARK 500 17 SER A 103      -33.79    179.76                                   
REMARK 500 17 ASN A 104       95.78   -167.94                                   
REMARK 500 17 ASP A 126       14.98   -141.44                                   
REMARK 500 17 GLN A 134      112.24    160.03                                   
REMARK 500 17 LYS A 138      -47.18   -134.78                                   
REMARK 500 17 PHE A 142     -164.30    174.52                                   
REMARK 500 18 PRO A   2       36.63    -90.33                                   
REMARK 500 18 SER A  14       77.83    153.09                                   
REMARK 500 18 LYS A  26       67.10   -112.33                                   
REMARK 500 18 THR A  29     -154.20   -160.17                                   
REMARK 500 18 LYS A  32     -165.38   -113.19                                   
REMARK 500 18 GLU A  40       90.81    -48.47                                   
REMARK 500 18 GLU A  50       38.95    -81.14                                   
REMARK 500 18 LYS A  51      132.50    161.63                                   
REMARK 500 18 ALA A  66      -55.47   -127.91                                   
REMARK 500 18 VAL A  86       90.07    -65.80                                   
REMARK 500 18 MET A  94     -168.85   -121.33                                   
REMARK 500 18 ARG A 100      -84.71    -69.32                                   
REMARK 500 18 SER A 101       39.23   -162.23                                   
REMARK 500 18 SER A 103      123.52   -177.97                                   
REMARK 500 18 GLN A 134      131.51    158.33                                   
REMARK 500 18 LYS A 138      -40.47   -176.06                                   
REMARK 500 18 PHE A 142     -160.56    175.85                                   
REMARK 500 19 SER A  14       92.68    153.19                                   
REMARK 500 19 LYS A  26       68.83   -119.14                                   
REMARK 500 19 THR A  29      -87.29   -157.95                                   
REMARK 500 19 TYR A  30       34.86   -177.57                                   
REMARK 500 19 LYS A  32     -164.90   -127.03                                   
REMARK 500 19 GLU A  40       81.76    -55.15                                   
REMARK 500 19 GLU A  50       20.25    -70.91                                   
REMARK 500 19 LYS A  51      124.11    176.61                                   
REMARK 500 19 GLU A  52      102.12    -59.19                                   
REMARK 500 19 ASP A  63       58.18   -113.22                                   
REMARK 500 19 ALA A  66      -57.82   -133.72                                   
REMARK 500 19 ALA A  79      -45.91   -158.64                                   
REMARK 500 19 VAL A  86       87.60    -66.22                                   
REMARK 500 19 VAL A  89      174.32    -50.42                                   
REMARK 500 19 ARG A 100      -74.75    -87.73                                   
REMARK 500 19 SER A 101       37.52   -163.22                                   
REMARK 500 19 SER A 103      -78.96   -175.70                                   
REMARK 500 19 GLN A 134      123.24    156.84                                   
REMARK 500 19 PHE A 142     -165.79   -176.85                                   
REMARK 500 20 SER A  13       56.46   -105.94                                   
REMARK 500 20 SER A  14       67.22    153.46                                   
REMARK 500 20 LYS A  26       67.16   -115.36                                   
REMARK 500 20 THR A  29      -88.95   -157.98                                   
REMARK 500 20 TYR A  30       35.91   -178.16                                   
REMARK 500 20 ALA A  38     -165.23   -105.20                                   
REMARK 500 20 GLU A  40       89.12    -43.74                                   
REMARK 500 20 GLU A  50       40.20    -80.75                                   
REMARK 500 20 LYS A  51      130.18    161.32                                   
REMARK 500 20 GLU A  81      140.77     64.56                                   
REMARK 500 20 VAL A  86       85.06    -63.28                                   
REMARK 500 20 VAL A  89      179.25    -53.33                                   
REMARK 500 20 ARG A 100      -83.22    -67.96                                   
REMARK 500 20 SER A 101       39.20   -162.45                                   
REMARK 500 20 SER A 103      118.96   -176.26                                   
REMARK 500 20 ASN A 104       77.44     41.21                                   
REMARK 500 20 ASP A 126       15.50   -140.68                                   
REMARK 500 20 GLN A 134      129.88    157.73                                   
REMARK 500 20 LYS A 138       24.90   -161.79                                   
REMARK 500 20 ASP A 139      -46.28   -169.79                                   
REMARK 500 20 PHE A 142     -164.24    179.49                                   
REMARK 500 21 SER A  14       76.70    153.93                                   
REMARK 500 21 SER A  17      -64.10    -96.85                                   
REMARK 500 21 HIS A  19       73.70   -106.04                                   
REMARK 500 21 LYS A  26       61.99   -107.67                                   
REMARK 500 21 ASP A  28       76.58   -118.35                                   
REMARK 500 21 THR A  29      -95.15   -156.42                                   
REMARK 500 21 TYR A  30       36.66   -178.40                                   
REMARK 500 21 LYS A  37     -169.79   -126.86                                   
REMARK 500 21 GLU A  50       33.81    -79.28                                   
REMARK 500 21 LYS A  51      138.39    161.22                                   
REMARK 500 21 HIS A  56      -41.72   -172.53                                   
REMARK 500 21 ASP A  63       73.76   -102.20                                   
REMARK 500 21 VAL A  86       84.90    -68.73                                   
REMARK 500 21 VAL A  89     -179.31    -54.07                                   
REMARK 500 21 SER A  97      -53.26   -120.03                                   
REMARK 500 21 ARG A 100      -87.60    -85.82                                   
REMARK 500 21 SER A 101       38.22   -162.03                                   
REMARK 500 21 SER A 103      -79.62   -157.89                                   
REMARK 500 21 GLN A 134      129.07    149.48                                   
REMARK 500 21 SER A 137     -168.84   -173.68                                   
REMARK 500 21 LYS A 138      -40.87   -176.79                                   
REMARK 500 21 PHE A 142     -162.50    178.76                                   
REMARK 500 22 SER A  14       72.92    152.75                                   
REMARK 500 22 LYS A  26       65.41   -117.20                                   
REMARK 500 22 THR A  29      -84.36   -158.10                                   
REMARK 500 22 TYR A  30       35.45   -177.84                                   
REMARK 500 22 LYS A  32     -157.97   -160.32                                   
REMARK 500 22 ALA A  35      154.60    -48.85                                   
REMARK 500 22 ALA A  38     -162.38   -101.73                                   
REMARK 500 22 GLU A  40       92.83    -48.14                                   
REMARK 500 22 THR A  42      119.87   -160.39                                   
REMARK 500 22 GLU A  50       36.53    -81.15                                   
REMARK 500 22 LYS A  51      129.23    166.73                                   
REMARK 500 22 SER A  65      170.16    -57.75                                   
REMARK 500 22 ALA A  66      -56.83   -135.16                                   
REMARK 500 22 GLN A  82       35.21    -97.27                                   
REMARK 500 22 VAL A  86       86.29    -62.31                                   
REMARK 500 22 VAL A  89     -173.36    -56.63                                   
REMARK 500 22 SER A  97      -54.15   -120.48                                   
REMARK 500 22 ARG A 100      -82.63    -72.14                                   
REMARK 500 22 SER A 101       37.49   -162.85                                   
REMARK 500 22 SER A 103      -77.07   -174.48                                   
REMARK 500 22 GLN A 134      134.58    150.23                                   
REMARK 500 22 LYS A 138      -42.66   -176.27                                   
REMARK 500 22 PHE A 142     -164.10    179.88                                   
REMARK 500 22 PHE A 146      163.37    179.88                                   
REMARK 500 23 SER A  14       73.83    152.19                                   
REMARK 500 23 LYS A  26       65.28   -114.28                                   
REMARK 500 23 THR A  29      -88.08   -155.40                                   
REMARK 500 23 TYR A  30       33.72   -177.60                                   
REMARK 500 23 LYS A  32     -159.47   -126.72                                   
REMARK 500 23 GLU A  40       84.67    -54.79                                   
REMARK 500 23 GLU A  50       43.85    -81.07                                   
REMARK 500 23 LYS A  51      127.36    166.94                                   
REMARK 500 23 ASP A  63     -102.12    -87.34                                   
REMARK 500 23 ALA A  66      -57.53   -147.20                                   
REMARK 500 23 ALA A  76      107.92    -59.80                                   
REMARK 500 23 GLN A  82       32.14    -98.92                                   
REMARK 500 23 VAL A  86       85.75    -62.20                                   
REMARK 500 23 VAL A  89     -179.69    -53.35                                   
REMARK 500 23 MET A  94     -164.06   -121.30                                   
REMARK 500 23 ARG A 100      -85.53    -83.87                                   
REMARK 500 23 SER A 101       38.08   -163.01                                   
REMARK 500 23 SER A 103      -77.76   -166.25                                   
REMARK 500 23 GLN A 134      113.26    161.99                                   
REMARK 500 23 LYS A 138      -41.71   -170.61                                   
REMARK 500 23 PHE A 142     -163.41   -178.49                                   
REMARK 500 23 PHE A 146      169.05    171.65                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1XNT A    1   183  UNP    P18887   XRCC1_HUMAN      1    183             
SEQADV 1XNT GLU A  179  UNP  P18887    ASP   179 CLONING ARTIFACT               
SEQRES   1 A  183  MET PRO GLU ILE ARG LEU ARG HIS VAL VAL SER CYS SER          
SEQRES   2 A  183  SER GLN ASP SER THR HIS CYS ALA GLU ASN LEU LEU LYS          
SEQRES   3 A  183  ALA ASP THR TYR ARG LYS TRP ARG ALA ALA LYS ALA GLY          
SEQRES   4 A  183  GLU LYS THR ILE SER VAL VAL LEU GLN LEU GLU LYS GLU          
SEQRES   5 A  183  GLU GLN ILE HIS SER VAL ASP ILE GLY ASN ASP GLY SER          
SEQRES   6 A  183  ALA PHE VAL GLU VAL LEU VAL GLY SER SER ALA GLY GLY          
SEQRES   7 A  183  ALA GLY GLU GLN ASP TYR GLU VAL LEU LEU VAL THR SER          
SEQRES   8 A  183  SER PHE MET SER PRO SER GLU SER ARG SER GLY SER ASN          
SEQRES   9 A  183  PRO ASN ARG VAL ARG MET PHE GLY PRO ASP LYS LEU VAL          
SEQRES  10 A  183  ARG ALA ALA ALA GLU LYS ARG TRP ASP ARG VAL LYS ILE          
SEQRES  11 A  183  VAL CYS SER GLN PRO TYR SER LYS ASP SER PRO PHE GLY          
SEQRES  12 A  183  LEU SER PHE VAL ARG PHE HIS SER PRO PRO ASP LYS ASP          
SEQRES  13 A  183  GLU ALA GLU ALA PRO SER GLN LYS VAL THR VAL THR LYS          
SEQRES  14 A  183  LEU GLY GLN PHE ARG VAL LYS GLU GLU GLU GLU SER ALA          
SEQRES  15 A  183  ASN                                                          
HELIX    1   1 ALA A   21  LEU A   25  5                                   5    
HELIX    2   2 PRO A   96  ARG A  100  1                                   5    
HELIX    3   3 ARG A  118  GLU A  122  1                                   5    
SHEET    1   1 5 HIS A   8  SER A  13  0                                        
SHEET    2   1 5 THR A  42  LEU A  49 -1  N  VAL A  46   O  SER A  11           
SHEET    3   1 5 ARG A 127  SER A 133 -1  N  CYS A 132   O  ILE A  43           
SHEET    4   1 5 PHE A  67  SER A  74 -1  N  GLY A  73   O  ARG A 127           
SHEET    5   1 5 TYR A  84  SER A  92 -1  N  LEU A  88   O  VAL A  72           
SHEET    1   2 3 ARG A 107  GLY A 112  0                                        
SHEET    2   2 3 SER A  57  ASN A  62 -1  N  ASN A  62   O  ARG A 107           
SHEET    3   2 3 PHE A 146  HIS A 150 -1  N  HIS A 150   O  SER A  57           
SHEET    1   3 2 TRP A  33  ALA A  35  0                                        
SHEET    2   3 2 PHE A 142  LEU A 144 -1  N  LEU A 144   O  TRP A  33           
SHEET    1   4 2 GLU A  52  ILE A  55  0                                        
SHEET    2   4 2 ARG A 124  TRP A 125 -1  N  TRP A 125   O  GLU A  53           
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                                                                             
DBGET integrated database retrieval system