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Database: PDB
Entry: 1UW0
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HEADER    LIGASE                                  27-JAN-04   1UW0              
TITLE     SOLUTION STRUCTURE OF THE ZINC-FINGER DOMAIN FROM DNA                 
TITLE    2 LIGASE IIIA                                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA LIGASE III;                                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: ZINC-FINGER DOMAIN, RESIDUES 1-117;                        
COMPND   5 SYNONYM: POLYDEOXYRIBONUCLEOTIDE SYNTHASE [ATP];                     
COMPND   6 EC: 6.5.1.1;                                                         
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: CODON PLUS RP;                            
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
KEYWDS    DNA REPAIR, ZINC FINGER, LIGASE, PARP-LIKE FINGER, CELL               
KEYWDS   2 DIVISION, DNA REPLICATION, NUCLEAR PROTEIN                           
EXPDTA    SOLUTION NMR                                                          
NUMMDL    28                                                                    
AUTHOR    A.W.KULCZYK,J.-C.YANG,D.NEUHAUS                                       
REVDAT   3   24-FEB-09 1UW0    1       VERSN                                    
REVDAT   2   03-MAY-05 1UW0    1       ATOM                                     
REVDAT   1   05-AUG-04 1UW0    0                                                
JRNL        AUTH   A.W.KULCZYK,J.-C.YANG,D.NEUHAUS                              
JRNL        TITL   SOLUTION STRUCTURE AND DNA BINDING OF THE                    
JRNL        TITL 2 ZINC-FINGER DOMAIN FROM DNA LIGASE IIIALPHA                  
JRNL        REF    J.MOL.BIOL.                   V. 341   723 2004              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   15288782                                                     
JRNL        DOI    10.1016/J.JMB.2004.06.035                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.8                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN        
REMARK   3  THE JRNL CITATION ABOVE                                             
REMARK   4                                                                      
REMARK   4 1UW0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 28-JAN-04.                  
REMARK 100 THE PDBE ID CODE IS EBI-14459.                                       
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; COSY; TOCSY; HSQC;          
REMARK 210                                   CBCANH; CBCACONH; HBHANH;          
REMARK 210                                   HBHACONH; HCCH-TOCSY;              
REMARK 210                                   HCCH-COSY; 15N NOESY-HSQC;         
REMARK 210                                   15N HSQC-NOESY-HSQC;               
REMARK 210                                   13C NOESY-HSQC                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500; 600; 800                      
REMARK 210  SPECTROMETER MODEL             : DRX500; DMX600; AVANCE 800         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR, SPARKY, XPLOR             
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 28                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOW RESTRAINT VIOLATIONS           
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE          
REMARK 210 NMR SPECTROSCOPY ON 13C, 15N-LABELED DNA-LIGASE III ZINC             
REMARK 210 FINGER 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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400  INTERACTS WITH DNA-REPAIR PROTEIN XRCC1 AND CAN CORRECT             
REMARK 400  DEFECTIVE DNA STRAND-BREAK REPAIR AND SISTER CHROMATID EXCHANGE     
REMARK 400  FOLLOWING TREATMENT WITH IONIZING RADIATION AND ALKYLATING          
REMARK 400  AGENTS.                                                             
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500 16 CYS A  21   N   -  CA  -  CB  ANGL. DEV. =  -9.7 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500 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 LYS A  22       53.64   -100.74                                   
REMARK 500  1 PHE A  40      -58.34   -149.81                                   
REMARK 500  1 ILE A  70       98.43     54.36                                   
REMARK 500  1 ASP A  72     -165.56     53.34                                   
REMARK 500  1 THR A  74       36.74   -152.96                                   
REMARK 500  1 LEU A  82      173.72    -49.93                                   
REMARK 500  1 SER A  99     -164.90     52.42                                   
REMARK 500  1 LYS A 100       80.06     53.65                                   
REMARK 500  1 THR A 104       58.43   -155.42                                   
REMARK 500  1 LYS A 108       81.76     52.40                                   
REMARK 500  2 LYS A  12      -65.68   -138.05                                   
REMARK 500  2 CYS A  21      148.70   -172.49                                   
REMARK 500  2 LYS A  22       45.99   -107.45                                   
REMARK 500  2 PHE A  40      100.11     55.26                                   
REMARK 500  2 ILE A  70      101.83     55.18                                   
REMARK 500  2 ASP A  72     -173.06     53.17                                   
REMARK 500  2 THR A  74       50.23   -102.80                                   
REMARK 500  2 LEU A  82     -179.87    -53.25                                   
REMARK 500  2 SER A  98       46.73   -100.67                                   
REMARK 500  2 LYS A 100       48.98   -144.89                                   
REMARK 500  2 ALA A 101       56.97   -141.67                                   
REMARK 500  2 LYS A 107      179.91     53.19                                   
REMARK 500  3 LYS A  22       44.66   -105.38                                   
REMARK 500  3 VAL A  26      112.95   -165.45                                   
REMARK 500  3 PHE A  40      -58.74   -147.33                                   
REMARK 500  3 ILE A  70       98.29     54.41                                   
REMARK 500  3 ASP A  72     -166.01     53.33                                   
REMARK 500  3 THR A  74       38.04   -149.28                                   
REMARK 500  3 LEU A  82     -175.06    -69.81                                   
REMARK 500  3 SER A  98      -65.50    -96.44                                   
REMARK 500  3 SER A  99       94.70     52.39                                   
REMARK 500  4 GLN A   4      107.92     57.69                                   
REMARK 500  4 LYS A  22       51.27   -101.09                                   
REMARK 500  4 PHE A  40      -58.83   -148.00                                   
REMARK 500  4 ILE A  70       97.97     53.78                                   
REMARK 500  4 ASP A  72     -170.54     53.08                                   
REMARK 500  4 LEU A  82     -165.85   -113.28                                   
REMARK 500  4 LYS A 100      -59.70   -143.44                                   
REMARK 500  4 THR A 104       73.49     52.57                                   
REMARK 500  4 LYS A 106      -60.18   -131.78                                   
REMARK 500  5 CYS A  21      -44.45   -172.98                                   
REMARK 500  5 LYS A  22       44.15     70.08                                   
REMARK 500  5 PHE A  40      -58.37   -152.90                                   
REMARK 500  5 ILE A  70       94.71     52.84                                   
REMARK 500  5 ASP A  72     -165.25     53.46                                   
REMARK 500  5 GLU A  75      -58.60   -143.49                                   
REMARK 500  5 LEU A  82     -164.28   -108.81                                   
REMARK 500  5 SER A  98       58.60   -105.09                                   
REMARK 500  5 LYS A 100       40.06   -143.32                                   
REMARK 500  5 ALA A 101       41.90   -142.58                                   
REMARK 500  6 LYS A  12      -59.80   -130.05                                   
REMARK 500  6 LYS A  22       46.96   -103.83                                   
REMARK 500  6 PHE A  40      -58.69   -149.95                                   
REMARK 500  6 ILE A  70      101.03     54.54                                   
REMARK 500  6 ASP A  72     -169.90     53.41                                   
REMARK 500  6 THR A  74       35.98   -148.22                                   
REMARK 500  6 LEU A  82      176.91    -51.02                                   
REMARK 500  6 SER A  98       66.59   -100.62                                   
REMARK 500  6 LYS A 106       94.65     52.56                                   
REMARK 500  7 LYS A  12      -57.34   -120.16                                   
REMARK 500  7 LYS A  22       46.27   -104.05                                   
REMARK 500  7 PHE A  40      -58.27   -152.61                                   
REMARK 500  7 ILE A  70       99.21     54.97                                   
REMARK 500  7 ASP A  72     -176.73     53.17                                   
REMARK 500  7 THR A  74       42.88   -100.25                                   
REMARK 500  7 LEU A  82     -166.10   -109.76                                   
REMARK 500  8 LYS A  12     -163.64   -105.05                                   
REMARK 500  8 LYS A  22       48.40   -102.89                                   
REMARK 500  8 ILE A  70       96.82     53.60                                   
REMARK 500  8 ASP A  72     -172.90     51.49                                   
REMARK 500  8 THR A  74      -51.56   -171.91                                   
REMARK 500  8 LEU A  82      172.74    -48.90                                   
REMARK 500  8 SER A  98       54.51   -102.17                                   
REMARK 500  8 LYS A 107     -166.09   -113.81                                   
REMARK 500  9 LYS A  22       44.04   -105.50                                   
REMARK 500  9 PHE A  40      -58.93   -148.17                                   
REMARK 500  9 THR A  66      -51.91   -172.38                                   
REMARK 500  9 ILE A  70       99.79     55.69                                   
REMARK 500  9 ASP A  72     -172.33     53.26                                   
REMARK 500  9 THR A  74       36.56   -144.42                                   
REMARK 500  9 LEU A  82      174.44    -49.80                                   
REMARK 500  9 SER A  98       50.91    -98.14                                   
REMARK 500  9 LYS A 107       71.66     52.68                                   
REMARK 500 10 GLU A   3      -66.02   -127.96                                   
REMARK 500 10 CYS A  21      149.14   -174.83                                   
REMARK 500 10 PHE A  40       98.78     54.35                                   
REMARK 500 10 ILE A  70      100.01     54.49                                   
REMARK 500 10 ASP A  72     -163.65     53.83                                   
REMARK 500 10 LEU A  73       73.87   -103.87                                   
REMARK 500 10 THR A  74     -160.00   -167.85                                   
REMARK 500 10 GLU A  81       50.94   -165.10                                   
REMARK 500 10 SER A  98       40.06   -102.76                                   
REMARK 500 10 LYS A 100      -65.38   -123.06                                   
REMARK 500 10 LYS A 108      -60.64   -131.24                                   
REMARK 500 11 GLU A   3      -65.33   -140.45                                   
REMARK 500 11 PHE A  40      -59.12   -145.18                                   
REMARK 500 11 THR A  66      -55.30   -165.14                                   
REMARK 500 11 ILE A  70       99.22     55.28                                   
REMARK 500 11 ASP A  72     -164.75     53.47                                   
REMARK 500 11 THR A  74       37.03   -153.42                                   
REMARK 500 11 SER A  98       62.84   -101.07                                   
REMARK 500 12 GLU A   3      -61.45   -123.43                                   
REMARK 500 12 PHE A  40      -58.62   -151.38                                   
REMARK 500 12 THR A  66       53.18    -95.98                                   
REMARK 500 12 ASP A  72      177.34     54.14                                   
REMARK 500 12 THR A  74      -51.35   -172.38                                   
REMARK 500 12 LYS A 106       86.38     52.70                                   
REMARK 500 13 LYS A  12       39.36   -149.65                                   
REMARK 500 13 ILE A  70       99.07     54.21                                   
REMARK 500 13 ASP A  72     -163.99     54.62                                   
REMARK 500 13 LEU A  73       70.84   -116.08                                   
REMARK 500 13 THR A  74     -163.70   -170.68                                   
REMARK 500 13 LEU A  82      173.56    -49.38                                   
REMARK 500 13 SER A  98       55.78   -101.26                                   
REMARK 500 13 LYS A 100      -59.19   -143.58                                   
REMARK 500 13 ALA A 101       40.11   -145.09                                   
REMARK 500 13 THR A 104       89.75     46.61                                   
REMARK 500 14 LYS A  12      -59.86   -143.51                                   
REMARK 500 14 CYS A  21      -43.65   -172.94                                   
REMARK 500 14 LYS A  22       44.85     70.06                                   
REMARK 500 14 PHE A  40      -58.59   -150.49                                   
REMARK 500 14 ILE A  70      101.49     54.77                                   
REMARK 500 14 ASP A  72     -170.75     53.58                                   
REMARK 500 14 LEU A  82      175.10    -49.77                                   
REMARK 500 14 LYS A 108       73.45   -117.19                                   
REMARK 500 15 GLN A   4      164.04     57.89                                   
REMARK 500 15 LYS A  12      -65.68   -140.62                                   
REMARK 500 15 CYS A  21      -43.58   -173.04                                   
REMARK 500 15 ILE A  70       99.34     54.54                                   
REMARK 500 15 ASP A  72     -173.52     53.00                                   
REMARK 500 15 THR A  74      -51.62   -170.00                                   
REMARK 500 15 LEU A  82     -175.30    -59.25                                   
REMARK 500 15 LYS A 107      -65.07   -135.81                                   
REMARK 500 15 LYS A 108      -58.82   -144.73                                   
REMARK 500 16 ALA A   2      -59.68   -143.38                                   
REMARK 500 16 LYS A  12      -58.11   -136.03                                   
REMARK 500 16 CYS A  21      -44.41   -165.20                                   
REMARK 500 16 LYS A  22       74.22     78.12                                   
REMARK 500 16 GLU A  23     -172.88   -176.11                                   
REMARK 500 16 PHE A  40      -58.88   -153.55                                   
REMARK 500 16 ILE A  53      -60.45    -97.48                                   
REMARK 500 16 ILE A  70       97.67     54.30                                   
REMARK 500 16 ASP A  72     -178.22     52.67                                   
REMARK 500 16 THR A  74      -51.63   -172.17                                   
REMARK 500 16 LEU A  82      165.55    -47.67                                   
REMARK 500 17 ALA A  11      102.04    -59.95                                   
REMARK 500 17 PHE A  40      -58.80   -146.71                                   
REMARK 500 17 ILE A  70      101.02     54.86                                   
REMARK 500 17 ASP A  72     -162.75     54.64                                   
REMARK 500 17 THR A  74       35.87   -148.03                                   
REMARK 500 17 LEU A  82      176.68    -51.26                                   
REMARK 500 17 SER A  98       69.64   -102.41                                   
REMARK 500 17 SER A  99     -165.32   -106.55                                   
REMARK 500 18 GLU A   3      -58.18   -120.67                                   
REMARK 500 18 PHE A  40      -68.41     63.06                                   
REMARK 500 18 ASP A  72     -165.37     51.24                                   
REMARK 500 18 THR A  74      -54.85   -155.72                                   
REMARK 500 18 GLU A  81       54.89   -169.30                                   
REMARK 500 18 LEU A  82      -70.36   -111.40                                   
REMARK 500 18 ALA A 101       75.56     52.70                                   
REMARK 500 19 GLU A  42      -66.93   -103.05                                   
REMARK 500 19 ILE A  70       92.32     53.17                                   
REMARK 500 19 ASP A  72     -167.09     53.33                                   
REMARK 500 19 THR A  74       37.11   -148.23                                   
REMARK 500 19 LEU A  82      170.30    -48.06                                   
REMARK 500 19 SER A  98       69.54   -103.46                                   
REMARK 500 20 LYS A  12      -58.47   -127.46                                   
REMARK 500 20 VAL A  26       84.25   -155.68                                   
REMARK 500 20 PHE A  40       97.83     54.31                                   
REMARK 500 20 ILE A  70       99.11     54.14                                   
REMARK 500 20 ASP A  72     -164.17     51.94                                   
REMARK 500 20 LEU A  82     -164.80   -111.10                                   
REMARK 500 20 SER A  98       60.56   -103.69                                   
REMARK 500 20 ALA A 101       81.28     53.01                                   
REMARK 500 21 ALA A   2      -71.40     64.34                                   
REMARK 500 21 GLU A   3       42.72   -140.76                                   
REMARK 500 21 LYS A  22       49.76   -101.93                                   
REMARK 500 21 PHE A  40      -69.12     62.96                                   
REMARK 500 21 ILE A  70       98.74     54.36                                   
REMARK 500 21 ASP A  72     -164.04     53.42                                   
REMARK 500 21 SER A  98       67.29   -100.59                                   
REMARK 500 21 LYS A 108       50.37   -119.65                                   
REMARK 500 22 CYS A  21      149.33   -175.24                                   
REMARK 500 22 PHE A  40      -58.56   -145.51                                   
REMARK 500 22 THR A  66       57.69    -92.97                                   
REMARK 500 22 ASP A  72     -165.23     52.86                                   
REMARK 500 22 LEU A  82      -79.79    -94.77                                   
REMARK 500 23 CYS A  21      132.00    179.59                                   
REMARK 500 23 PHE A  40      -58.94   -147.07                                   
REMARK 500 23 HIS A  52     -172.29    -58.50                                   
REMARK 500 23 ILE A  70       94.86     52.93                                   
REMARK 500 23 ASP A  72     -163.91     52.70                                   
REMARK 500 23 THR A  74       81.96    -66.70                                   
REMARK 500 23 GLU A  75      -53.42   -166.27                                   
REMARK 500 23 LEU A  82     -163.33   -111.79                                   
REMARK 500 23 SER A  98       66.85   -106.44                                   
REMARK 500 23 ALA A 101     -163.69   -126.54                                   
REMARK 500 24 GLU A   3      -59.91   -126.60                                   
REMARK 500 24 LYS A  12       38.99   -148.12                                   
REMARK 500 24 PHE A  40      -58.86   -145.68                                   
REMARK 500 24 ILE A  70      101.95     54.35                                   
REMARK 500 24 ASP A  72     -161.70     53.81                                   
REMARK 500 24 GLU A  75      -58.35   -129.15                                   
REMARK 500 24 SER A  98       58.09    -96.53                                   
REMARK 500 24 ALA A 101       81.22     52.69                                   
REMARK 500 25 LYS A  12      -57.83   -120.10                                   
REMARK 500 25 LYS A  22       56.71    -97.75                                   
REMARK 500 25 PHE A  40      -59.14   -147.67                                   
REMARK 500 25 THR A  66       58.26    -96.96                                   
REMARK 500 25 ILE A  70       99.49     54.28                                   
REMARK 500 25 ASP A  72     -165.18     53.74                                   
REMARK 500 25 LEU A  82      178.63    -51.76                                   
REMARK 500 25 SER A  98       52.66    -96.92                                   
REMARK 500 26 CYS A  21      143.65   -175.18                                   
REMARK 500 26 PHE A  40      -57.70   -152.76                                   
REMARK 500 26 ILE A  70       98.25     54.07                                   
REMARK 500 26 ASP A  72     -165.36     54.37                                   
REMARK 500 26 LEU A  82      177.21    -51.12                                   
REMARK 500 26 SER A  98       54.03    -96.01                                   
REMARK 500 27 LYS A  22       44.25   -104.87                                   
REMARK 500 27 PHE A  40      -58.77   -145.87                                   
REMARK 500 27 ASP A  72     -175.16     50.95                                   
REMARK 500 27 THR A  74       39.19   -145.64                                   
REMARK 500 27 LEU A  82      177.58    -50.88                                   
REMARK 500 27 SER A  98       51.41    -97.93                                   
REMARK 500 27 LYS A 100       72.10     53.16                                   
REMARK 500 27 LYS A 107      -63.92   -124.92                                   
REMARK 500 27 LYS A 108       40.93   -141.97                                   
REMARK 500 28 LYS A  12       38.02   -151.77                                   
REMARK 500 28 CYS A  21      150.78    179.59                                   
REMARK 500 28 PHE A  40      100.49     55.30                                   
REMARK 500 28 ILE A  70       99.85     52.87                                   
REMARK 500 28 ASP A  72     -163.74     55.42                                   
REMARK 500 28 GLU A  75      -58.61   -138.65                                   
REMARK 500 28 LEU A  82     -173.94    -69.08                                   
REMARK 500 28 SER A  99       55.66   -155.07                                   
REMARK 500 28 LYS A 107      -61.29   -124.14                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500  1 ARG A  13         0.26    SIDE CHAIN                              
REMARK 500  1 ARG A  31         0.20    SIDE CHAIN                              
REMARK 500  1 ARG A  62         0.23    SIDE CHAIN                              
REMARK 500  1 ARG A  64         0.25    SIDE CHAIN                              
REMARK 500  2 ARG A   5         0.28    SIDE CHAIN                              
REMARK 500  2 ARG A  13         0.22    SIDE CHAIN                              
REMARK 500  2 ARG A  31         0.20    SIDE CHAIN                              
REMARK 500  2 ARG A  62         0.22    SIDE CHAIN                              
REMARK 500  2 ARG A  64         0.24    SIDE CHAIN                              
REMARK 500  3 ARG A   5         0.29    SIDE CHAIN                              
REMARK 500  3 ARG A  13         0.32    SIDE CHAIN                              
REMARK 500  3 ARG A  31         0.32    SIDE CHAIN                              
REMARK 500  3 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500  3 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500  4 ARG A   5         0.24    SIDE CHAIN                              
REMARK 500  4 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500  4 ARG A  31         0.24    SIDE CHAIN                              
REMARK 500  4 ARG A  62         0.27    SIDE CHAIN                              
REMARK 500  4 ARG A  64         0.22    SIDE CHAIN                              
REMARK 500  5 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500  5 ARG A  13         0.27    SIDE CHAIN                              
REMARK 500  5 ARG A  31         0.23    SIDE CHAIN                              
REMARK 500  5 ARG A  62         0.27    SIDE CHAIN                              
REMARK 500  5 ARG A  64         0.32    SIDE CHAIN                              
REMARK 500  6 ARG A   5         0.26    SIDE CHAIN                              
REMARK 500  6 ARG A  13         0.31    SIDE CHAIN                              
REMARK 500  6 ARG A  31         0.23    SIDE CHAIN                              
REMARK 500  6 ARG A  62         0.31    SIDE CHAIN                              
REMARK 500  6 ARG A  64         0.26    SIDE CHAIN                              
REMARK 500  7 ARG A   5         0.22    SIDE CHAIN                              
REMARK 500  7 ARG A  13         0.22    SIDE CHAIN                              
REMARK 500  7 ARG A  31         0.29    SIDE CHAIN                              
REMARK 500  7 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500  7 ARG A  64         0.28    SIDE CHAIN                              
REMARK 500  8 ARG A   5         0.32    SIDE CHAIN                              
REMARK 500  8 ARG A  13         0.30    SIDE CHAIN                              
REMARK 500  8 ARG A  31         0.22    SIDE CHAIN                              
REMARK 500  8 ARG A  62         0.24    SIDE CHAIN                              
REMARK 500  8 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500  9 ARG A   5         0.32    SIDE CHAIN                              
REMARK 500  9 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500  9 ARG A  31         0.29    SIDE CHAIN                              
REMARK 500  9 ARG A  62         0.23    SIDE CHAIN                              
REMARK 500  9 ARG A  64         0.29    SIDE CHAIN                              
REMARK 500 10 ARG A   5         0.23    SIDE CHAIN                              
REMARK 500 10 ARG A  13         0.31    SIDE CHAIN                              
REMARK 500 10 ARG A  31         0.26    SIDE CHAIN                              
REMARK 500 10 ARG A  62         0.27    SIDE CHAIN                              
REMARK 500 10 ARG A  64         0.32    SIDE CHAIN                              
REMARK 500 11 ARG A   5         0.25    SIDE CHAIN                              
REMARK 500 11 ARG A  13         0.26    SIDE CHAIN                              
REMARK 500 11 ARG A  31         0.24    SIDE CHAIN                              
REMARK 500 11 ARG A  62         0.23    SIDE CHAIN                              
REMARK 500 11 ARG A  64         0.27    SIDE CHAIN                              
REMARK 500 12 ARG A   5         0.23    SIDE CHAIN                              
REMARK 500 12 ARG A  13         0.28    SIDE CHAIN                              
REMARK 500 12 ARG A  31         0.21    SIDE CHAIN                              
REMARK 500 12 ARG A  62         0.28    SIDE CHAIN                              
REMARK 500 12 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500 13 ARG A   5         0.32    SIDE CHAIN                              
REMARK 500 13 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500 13 ARG A  31         0.32    SIDE CHAIN                              
REMARK 500 13 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500 13 ARG A  64         0.23    SIDE CHAIN                              
REMARK 500 14 ARG A   5         0.24    SIDE CHAIN                              
REMARK 500 14 ARG A  13         0.24    SIDE CHAIN                              
REMARK 500 14 ARG A  31         0.32    SIDE CHAIN                              
REMARK 500 14 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500 14 ARG A  64         0.22    SIDE CHAIN                              
REMARK 500 15 ARG A   5         0.32    SIDE CHAIN                              
REMARK 500 15 ARG A  13         0.28    SIDE CHAIN                              
REMARK 500 15 ARG A  31         0.25    SIDE CHAIN                              
REMARK 500 15 ARG A  62         0.29    SIDE CHAIN                              
REMARK 500 15 ARG A  64         0.21    SIDE CHAIN                              
REMARK 500 16 ARG A   5         0.30    SIDE CHAIN                              
REMARK 500 16 ARG A  13         0.29    SIDE CHAIN                              
REMARK 500 16 ARG A  31         0.27    SIDE CHAIN                              
REMARK 500 16 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500 16 ARG A  64         0.30    SIDE CHAIN                              
REMARK 500 17 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500 17 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500 17 ARG A  31         0.26    SIDE CHAIN                              
REMARK 500 17 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500 17 ARG A  64         0.32    SIDE CHAIN                              
REMARK 500 18 ARG A   5         0.25    SIDE CHAIN                              
REMARK 500 18 ARG A  13         0.28    SIDE CHAIN                              
REMARK 500 18 ARG A  31         0.31    SIDE CHAIN                              
REMARK 500 18 ARG A  62         0.21    SIDE CHAIN                              
REMARK 500 18 ARG A  64         0.32    SIDE CHAIN                              
REMARK 500 19 ARG A   5         0.28    SIDE CHAIN                              
REMARK 500 19 ARG A  13         0.29    SIDE CHAIN                              
REMARK 500 19 ARG A  31         0.31    SIDE CHAIN                              
REMARK 500 19 ARG A  62         0.27    SIDE CHAIN                              
REMARK 500 19 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500 20 ARG A   5         0.23    SIDE CHAIN                              
REMARK 500 20 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500 20 ARG A  31         0.23    SIDE CHAIN                              
REMARK 500 20 ARG A  62         0.29    SIDE CHAIN                              
REMARK 500 20 ARG A  64         0.30    SIDE CHAIN                              
REMARK 500 21 ARG A   5         0.24    SIDE CHAIN                              
REMARK 500 21 ARG A  13         0.32    SIDE CHAIN                              
REMARK 500 21 ARG A  31         0.22    SIDE CHAIN                              
REMARK 500 21 ARG A  62         0.31    SIDE CHAIN                              
REMARK 500 21 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500 22 ARG A   5         0.21    SIDE CHAIN                              
REMARK 500 22 ARG A  13         0.29    SIDE CHAIN                              
REMARK 500 22 ARG A  31         0.22    SIDE CHAIN                              
REMARK 500 22 ARG A  62         0.24    SIDE CHAIN                              
REMARK 500 22 ARG A  64         0.31    SIDE CHAIN                              
REMARK 500 23 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500 23 ARG A  13         0.21    SIDE CHAIN                              
REMARK 500 23 ARG A  31         0.29    SIDE CHAIN                              
REMARK 500 23 ARG A  62         0.22    SIDE CHAIN                              
REMARK 500 23 ARG A  64         0.21    SIDE CHAIN                              
REMARK 500 24 ARG A   5         0.28    SIDE CHAIN                              
REMARK 500 24 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500 24 ARG A  31         0.22    SIDE CHAIN                              
REMARK 500 24 ARG A  62         0.25    SIDE CHAIN                              
REMARK 500 24 ARG A  64         0.29    SIDE CHAIN                              
REMARK 500 25 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500 25 ARG A  13         0.26    SIDE CHAIN                              
REMARK 500 25 ARG A  31         0.32    SIDE CHAIN                              
REMARK 500 25 ARG A  62         0.32    SIDE CHAIN                              
REMARK 500 25 ARG A  64         0.32    SIDE CHAIN                              
REMARK 500 26 ARG A   5         0.31    SIDE CHAIN                              
REMARK 500 26 ARG A  13         0.31    SIDE CHAIN                              
REMARK 500 26 ARG A  31         0.27    SIDE CHAIN                              
REMARK 500 26 ARG A  62         0.21    SIDE CHAIN                              
REMARK 500 26 ARG A  64         0.30    SIDE CHAIN                              
REMARK 500 27 ARG A   5         0.30    SIDE CHAIN                              
REMARK 500 27 ARG A  13         0.22    SIDE CHAIN                              
REMARK 500 27 ARG A  31         0.31    SIDE CHAIN                              
REMARK 500 27 ARG A  62         0.26    SIDE CHAIN                              
REMARK 500 27 ARG A  64         0.28    SIDE CHAIN                              
REMARK 500 28 ARG A   5         0.27    SIDE CHAIN                              
REMARK 500 28 ARG A  13         0.23    SIDE CHAIN                              
REMARK 500 28 ARG A  31         0.26    SIDE CHAIN                              
REMARK 500 28 ARG A  62         0.31    SIDE CHAIN                              
REMARK 500 28 ARG A  64         0.29    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
REMARK 620   SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A1118  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  55   SG                                                     
REMARK 620 2 CYS A  21   SG  102.6                                              
REMARK 620 3 CYS A  18   SG  117.1 101.6                                        
REMARK 620 4 HIS A  52   ND1 119.1 117.9  97.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  ZN A1118                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1IMO   RELATED DB: PDB                                   
REMARK 900  NMR STRUCTURE OF HUMAN DNA LIGASE IIIALPHA                          
REMARK 900  BRCT DOMAIN                                                         
REMARK 900 RELATED ID: 1IN1   RELATED DB: PDB                                   
REMARK 900  NMR STRUCTURE OF HUMAN DNA LIGASE IIIALPHA                          
REMARK 900  BRCT DOMAIN                                                         
DBREF  1UW0 A    1   117  UNP    P49916   DNL3_HUMAN       1    117             
SEQRES   1 A  117  MET ALA GLU GLN ARG PHE CYS VAL ASP TYR ALA LYS ARG          
SEQRES   2 A  117  GLY THR ALA GLY CYS LYS LYS CYS LYS GLU LYS ILE VAL          
SEQRES   3 A  117  LYS GLY VAL CYS ARG ILE GLY LYS VAL VAL PRO ASN PRO          
SEQRES   4 A  117  PHE SER GLU SER GLY GLY ASP MET LYS GLU TRP TYR HIS          
SEQRES   5 A  117  ILE LYS CYS MET PHE GLU LYS LEU GLU ARG ALA ARG ALA          
SEQRES   6 A  117  THR THR LYS LYS ILE GLU ASP LEU THR GLU LEU GLU GLY          
SEQRES   7 A  117  TRP GLU GLU LEU GLU ASP ASN GLU LYS GLU GLN ILE THR          
SEQRES   8 A  117  GLN HIS ILE ALA ASP LEU SER SER LYS ALA ALA GLY THR          
SEQRES   9 A  117  PRO LYS LYS LYS ALA VAL VAL GLN ALA LYS LEU THR THR          
HET     ZN  A1118       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    ZN 2+                                                        
HELIX    1   1 HIS A   52  ALA A   63  1                                  12    
HELIX    2   2 GLU A   83  SER A   99  1                                  17    
SHEET    1  AA 3 ARG A   5  TYR A  10  0                                        
SHEET    2  AA 3 CYS A  30  PRO A  37 -1  O  ARG A  31   N  ASP A   9           
SHEET    3  AA 3 ASP A  46  MET A  47 -1  O  MET A  47   N  VAL A  36           
SHEET    1  AB 2 ALA A  16  GLY A  17  0                                        
SHEET    2  AB 2 LYS A  24  ILE A  25 -1  O  ILE A  25   N  ALA A  16           
LINK        ZN    ZN A1118                 SG  CYS A  55     1555   1555  2.32  
LINK        ZN    ZN A1118                 SG  CYS A  21     1555   1555  2.30  
LINK        ZN    ZN A1118                 SG  CYS A  18     1555   1555  2.29  
LINK        ZN    ZN A1118                 ND1 HIS A  52     1555   1555  2.03  
SITE     1 AC1  4 CYS A  18  CYS A  21  HIS A  52  CYS 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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