GenomeNet

Database: PDB
Entry: 2J6T
LinkDB: 2J6T
Original site: 2J6T 
HEADER    TRANSFERASE/DNA                         04-OCT-06   2J6T              
TITLE     TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, O6-   
TITLE    2 METHYLGUANINE MODIFIED DNA, AND DATP.                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA POLYMERASE IV;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: POL IV;                                                     
COMPND   5 EC: 2.7.7.7;                                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3';          
COMPND   9 CHAIN: P;                                                            
COMPND  10 SYNONYM: 13-MER PRIMER;                                              
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 OTHER_DETAILS: 5'GGGGGAAGGATTC3';                                    
COMPND  13 MOL_ID: 3;                                                           
COMPND  14 MOLECULE: 5'-D(*TP*CP*AP*TP*XP*GP*AP*AP*TP*CP                        
COMPND  15 *CP*TP*TP*CP*CP*CP*CP*C)-3';                                         
COMPND  16 CHAIN: T;                                                            
COMPND  17 SYNONYM: 18-MER TEMPLATE;                                            
COMPND  18 ENGINEERED: YES;                                                     
COMPND  19 OTHER_DETAILS: 5'TCAT G32 GAATCCTTCCCCC3'                            
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS;                        
SOURCE   3 ORGANISM_TAXID: 273057;                                              
SOURCE   4 STRAIN: P2;                                                          
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET22B/DPO4-NHIS;                         
SOURCE  10 OTHER_DETAILS: GENE DPO4;                                            
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES                                                       
KEYWDS    TRANSFERASE-DNA COMPLEX, MUTATOR PROTEIN, DNA REPLICATION, O6-        
KEYWDS   2 METHYLGUANINE, TRANSFERASE, METAL-BINDING, TRANSLESION DNA           
KEYWDS   3 SYNTHESIS, DNA-DIRECTED DNA POLYMERASE, DPO4, DNA REPAIR, DNA        
KEYWDS   4 DAMAGE, DNA-BINDING, NUCLEOTIDYLTRANSFERASE                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.IRIMIA,R.L.EOFF,F.P.GUENGERICH,M.EGLI                               
REVDAT   7   13-DEC-23 2J6T    1       REMARK LINK                              
REVDAT   6   02-FEB-10 2J6T    1       VERSN                                    
REVDAT   5   24-FEB-09 2J6T    1       VERSN                                    
REVDAT   4   26-JUN-07 2J6T    1       REMARK                                   
REVDAT   3   05-JUN-07 2J6T    1       REMARK                                   
REVDAT   2   16-JAN-07 2J6T    1       JRNL                                     
REVDAT   1   22-NOV-06 2J6T    0                                                
JRNL        AUTH   R.L.EOFF,A.IRIMIA,M.EGLI,F.P.GUENGERICH                      
JRNL        TITL   SULFOLOBUS SOLFATARICUS DNA POLYMERASE DPO4 IS PARTIALLY     
JRNL        TITL 2 INHIBITED BY "WOBBLE" PAIRING BETWEEN O6- METHYLGUANINE AND  
JRNL        TITL 3 CYTOSINE, BUT ACCURATE BYPASS IS PREFERRED.                  
JRNL        REF    J.BIOL.CHEM.                  V. 282  1456 2007              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   17105728                                                     
JRNL        DOI    10.1074/JBC.M609661200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 22.50                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 986175.730                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 16550                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.237                           
REMARK   3   FREE R VALUE                     : 0.269                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 812                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.009                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.76                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.30                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 2554                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3750                       
REMARK   3   BIN FREE R VALUE                    : 0.3820                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.30                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 143                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.032                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2744                                    
REMARK   3   NUCLEIC ACID ATOMS       : 610                                     
REMARK   3   HETEROGEN ATOMS          : 33                                      
REMARK   3   SOLVENT ATOMS            : 89                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 45.80                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 43.80                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.36000                                              
REMARK   3    B22 (A**2) : -4.41000                                             
REMARK   3    B33 (A**2) : 2.06000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.39                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.47                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 50.0                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.46                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.49                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.300                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.20                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.030                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.230 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.130 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 1.810 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 2.930 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.31                                                 
REMARK   3   BSOL        : 30.10                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP1.PARAM                             
REMARK   3  PARAMETER FILE  3  : ATP.PARAM                                      
REMARK   3  PARAMETER FILE  4  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  5  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  6  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : DNA-RNA1.TOP                                   
REMARK   3  TOPOLOGY FILE  3   : ATP.TOP                                        
REMARK   3  TOPOLOGY FILE  4   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  5   : WATER_REP.TOP                                  
REMARK   3  TOPOLOGY FILE  6   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2J6T COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-OCT-06.                  
REMARK 100 THE DEPOSITION ID IS D_1290030141.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 26-AUG-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.40                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : BRUKER MONTEL CONFOCAL             
REMARK 200                                   MULTILAYER MIRRORS                 
REMARK 200  OPTICS                         : BRUKER MONTEL CONFOCAL             
REMARK 200                                   MULTILAYER MIRRORS                 
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : BRUKER                             
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : SAINT                              
REMARK 200  DATA SCALING SOFTWARE          : SAINT                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16550                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 22.500                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 4.350                              
REMARK 200  R MERGE                    (I) : 0.11000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.9400                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.70                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.26                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.97000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: PDB ENTRY 2BQR                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 53.61                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.57                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10% PEG 3350, 100 MM CA(CH3CO2)2, 50MM   
REMARK 280  NACL, 5MM CACL2, AND 1MM DATP., PH 7.40                             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       47.50600            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       51.47450            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       47.50600            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       51.47450            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 5800 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 20040 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -69.2 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, P, T                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     HIS A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     HIS A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     ALA A   343                                                      
REMARK 465     ILE A   344                                                      
REMARK 465     GLY A   345                                                      
REMARK 465     LEU A   346                                                      
REMARK 465     ASP A   347                                                      
REMARK 465     LYS A   348                                                      
REMARK 465     PHE A   349                                                      
REMARK 465     PHE A   350                                                      
REMARK 465     ASP A   351                                                      
REMARK 465     THR A   352                                                      
REMARK 465      DT T     1                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A 342    CA   C    O    CB   CG   CD   OE1                   
REMARK 470     GLU A 342    OE2                                                 
REMARK 470      DC T   2    P    OP1  OP2                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NH2  ARG A   336     O    HOH A  2056              1.93            
REMARK 500   NE   ARG A   336     O    HOH A  2058              2.04            
REMARK 500   O    HOH P  2003     O    HOH P  2005              2.14            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ARG A 247   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    TYR A  10       51.31     18.46                                   
REMARK 500    PHE A  11      -77.47    -28.85                                   
REMARK 500    LYS A  24      127.14    -34.70                                   
REMARK 500    ARG A  36     -105.02    -68.96                                   
REMARK 500    PHE A  37     -157.60    -86.82                                   
REMARK 500    ARG A  77       71.40   -117.27                                   
REMARK 500    ASP A 105       23.80   -155.52                                   
REMARK 500    ILE A 111       38.31    -95.12                                   
REMARK 500    ASP A 113       41.84    -82.52                                   
REMARK 500    LYS A 114      -16.56   -152.28                                   
REMARK 500    PHE A 210      -76.05    -40.84                                   
REMARK 500    ASP A 211      -38.50    -31.13                                   
REMARK 500    ASN A 234       53.92   -149.06                                   
REMARK 500    ASP A 277       75.68     32.53                                   
REMARK 500    ASP A 292       38.76    -93.54                                   
REMARK 500    LEU A 293       24.80     47.57                                   
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                              CA A1001  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A   7   OD1                                                    
REMARK 620 2 PHE A   8   O    94.2                                              
REMARK 620 3 ASP A 105   OD2  60.6  87.1                                        
REMARK 620 4 DTP A1000   O1G 109.6 112.2 159.7                                  
REMARK 620 5 DTP A1000   O1B 167.4  89.6 107.7  79.9                            
REMARK 620 6 DTP A1000   O5'  97.6 135.5  62.7 103.8  71.5                      
REMARK 620 7 HOH A2004   O    69.2  71.1 123.1  61.6 123.4 152.5                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1002  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A   7   OD1                                                    
REMARK 620 2 ASP A   7   OD2  43.8                                              
REMARK 620 3 ASP A 105   OD1  81.4 125.1                                        
REMARK 620 4 GLU A 106   OE2 117.9  96.4 109.3                                  
REMARK 620 5 DTP A1000   O5'  93.7 112.2  66.7 147.7                            
REMARK 620 6 HOH A2025   O   156.5 159.0  75.2  69.1  79.2                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1003  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ALA A 181   O                                                      
REMARK 620 2 ILE A 186   O    85.6                                              
REMARK 620 3 HOH A2040   O    83.0  68.4                                        
REMARK 620 4 HOH A2041   O    93.7  80.1 148.5                                  
REMARK 620 5 HOH P2004   O    95.7 171.9 119.6  91.9                            
REMARK 620 6 HOH P2015   O   174.5  88.9  94.9  85.5  89.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1001                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1002                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 1003                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DTP A 1000                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1JX4   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF A Y-FAMILY DNA POLYMERASE IN A TERNARYCOMPLEX   
REMARK 900 WITH DNA SUBSTRATES AND AN INCOMING NUCLEOTIDE                       
REMARK 900 RELATED ID: 1JXL   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF A Y-FAMILY DNA POLYMERASE IN A TERNARYCOMPLEX   
REMARK 900 WITH DNA SUBSTRATES AND AN INCOMING NUCLEOTIDE                       
REMARK 900 RELATED ID: 1N48   RELATED DB: PDB                                   
REMARK 900 Y-FAMILY DNA POLYMERASE DPO4 IN COMPLEX WITH DNA CONTAININGABASIC    
REMARK 900 LESION                                                               
REMARK 900 RELATED ID: 1N56   RELATED DB: PDB                                   
REMARK 900 Y-FAMILY DNA POLYMERASE DPO4 IN COMPLEX WITH DNA CONTAININGABASIC    
REMARK 900 LESION                                                               
REMARK 900 RELATED ID: 1RYR   RELATED DB: PDB                                   
REMARK 900 REPLICATION OF A CIS-SYN THYMINE DIMER AT ATOMIC RESOLUTION          
REMARK 900 RELATED ID: 1RYS   RELATED DB: PDB                                   
REMARK 900 REPLICATION OF A CIS-SYN THYMINE DIMER AT ATOMIC RESOLUTION          
REMARK 900 RELATED ID: 1S0M   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCTIN A        
REMARK 900 TERNARY COMPLEX WITH A DNA POLYMERASE                                
REMARK 900 RELATED ID: 1S0N   RELATED DB: PDB                                   
REMARK 900 SNAPSHOTS OF REPLICATION THROUGH AN ABASIC LESION:STRUCTURAL BASIS   
REMARK 900 FOR BASE SUBSTITUTION AND FRAMESHIFT                                 
REMARK 900 RELATED ID: 1S0O   RELATED DB: PDB                                   
REMARK 900 SNAPSHOTS OF REPLICATION THROUGH AN ABASIC LESION:STRUCTURAL BASIS   
REMARK 900 FOR BASE SUBSTITUTION AND FRAMESHIFT                                 
REMARK 900 RELATED ID: 1S10   RELATED DB: PDB                                   
REMARK 900 SNAPSHOTS OF REPLICATION THROUGH AN ABASIC LESION:STRUCTURAL BASIS   
REMARK 900 FOR BASE SUBSTITUTION AND FRAMESHIFT                                 
REMARK 900 RELATED ID: 1S97   RELATED DB: PDB                                   
REMARK 900 DPO4 WITH GT MISMATCH                                                
REMARK 900 RELATED ID: 1S9F   RELATED DB: PDB                                   
REMARK 900 DPO WITH AT MATCHED                                                  
REMARK 900 RELATED ID: 2AGO   RELATED DB: PDB                                   
REMARK 900 FIDELITY OF DPO4: EFFECT OF METAL IONS, NUCLEOTIDESELECTION AND      
REMARK 900 PYROPHOSPHOROLYSIS                                                   
REMARK 900 RELATED ID: 2AGP   RELATED DB: PDB                                   
REMARK 900 FIDELITY OF DPO4: EFFECT OF METAL IONS, NUCLEOTIDESELECTION AND      
REMARK 900 PYROPHOSPHOROLYSIS                                                   
REMARK 900 RELATED ID: 2AGQ   RELATED DB: PDB                                   
REMARK 900 FIDELITY OF DPO4: EFFECT OF METAL IONS, NUCLEOTIDESELECTION AND      
REMARK 900 PYROPHOSPHOROLYSIS                                                   
REMARK 900 RELATED ID: 2ASD   RELATED DB: PDB                                   
REMARK 900 OXOG-MODIFIED INSERTION TERNARY COMPLEX                              
REMARK 900 RELATED ID: 2ASJ   RELATED DB: PDB                                   
REMARK 900 OXOG-MODIFIED PREINSERTION BINARY COMPLEX                            
REMARK 900 RELATED ID: 2ASL   RELATED DB: PDB                                   
REMARK 900 OXOG-MODIFIED POSTINSERTION BINARY COMPLEX                           
REMARK 900 RELATED ID: 2ATL   RELATED DB: PDB                                   
REMARK 900 UNMODIFIED INSERTION TERNARY COMPLEX                                 
REMARK 900 RELATED ID: 2AU0   RELATED DB: PDB                                   
REMARK 900 UNMODIFIED PREINSERTION BINARY COMPLEX                               
REMARK 900 RELATED ID: 2BQ3   RELATED DB: PDB                                   
REMARK 900 DNA ADDUCT BYPASS POLYMERIZATION BY SULFOLOBUS SOLFATARICUS DPO4.    
REMARK 900 ANALYSIS AND CRYSTAL STRUCTURES OF MULTIPLE BASE-PAIR SUBSTITUTION   
REMARK 900 AND FRAMESHIFT PRODUCTS WITH THE ADDUCT 1 ,N2-ETHENOGUANINE          
REMARK 900 RELATED ID: 2BQR   RELATED DB: PDB                                   
REMARK 900 DNA ADDUCT BYPASS POLYMERIZATION BY SULFOLOBUS SOLFATARICUS DPO4.    
REMARK 900 ANALYSIS AND CRYSTAL STRUCTURES OF MULTIPLE BASE-PAIR SUBSTITUTION   
REMARK 900 AND FRAMESHIFT PRODUCTS WITH THE ADDUCT 1 ,N2-ETHENOGUANINE          
REMARK 900 RELATED ID: 2BQU   RELATED DB: PDB                                   
REMARK 900 DNA ADDUCT BYPASS POLYMERIZATION BY SULFOLOBUS SOLFATARICUS DPO4.    
REMARK 900 ANALYSIS AND CRYSTAL STRUCTURES OF MULTIPLE BASE-PAIR SUBSTITUTION   
REMARK 900 AND FRAMESHIFT PRODUCTS WITH THE ADDUCT 1 ,N2-ETHENOGUANINE          
REMARK 900 RELATED ID: 2BR0   RELATED DB: PDB                                   
REMARK 900 DNA ADDUCT BYPASS POLYMERIZATION BY SULFOLOBUS SOLFATARICUS DPO4.    
REMARK 900 ANALYSIS AND CRYSTAL STRUCTURES OF MULTIPLE BASE-PAIR SUBSTITUTION   
REMARK 900 AND FRAMESHIFT PRODUCTS WITH THE ADDUCT 1 ,N2-ETHENOGUANINE          
REMARK 900 RELATED ID: 2C22   RELATED DB: PDB                                   
REMARK 900 EFFICIENT AND HIGH FIDELITY INCORPORATION OF DCTP OPPOSITE 7,8-      
REMARK 900 DIHYDRO-8- OXODEOXYGUANOSINE BY SULFOLOBUS SOLFATARICUS DNA          
REMARK 900 POLYMERASE DPO4                                                      
REMARK 900 RELATED ID: 2C28   RELATED DB: PDB                                   
REMARK 900 EFFICIENT AND HIGH FIDELITY INCORPORATION OF DCTP OPPOSITE 7,8-      
REMARK 900 DIHYDRO-8- OXODEOXYGUANOSINE BY SULFOLOBUS SOLFATARICUS DNA          
REMARK 900 POLYMERASE DPO4                                                      
REMARK 900 RELATED ID: 2C2D   RELATED DB: PDB                                   
REMARK 900 EFFICIENT AND HIGH FIDELITY INCORPORATION OF DCTP OPPOSITE 7,8-      
REMARK 900 DIHYDRO-8- OXODEOXYGUANOSINE BY SULFOLOBUS SOLFATARICUS DNA          
REMARK 900 POLYMERASE DPO4                                                      
REMARK 900 RELATED ID: 2C2E   RELATED DB: PDB                                   
REMARK 900 EFFICIENT AND HIGH FIDELITY INCORPORATION OF DCTP OPPOSITE 7,8-      
REMARK 900 DIHYDRO-8- OXODEOXYGUANOSINE BY SULFOLOBUS SOLFATARICUS DNA          
REMARK 900 POLYMERASE DPO4                                                      
REMARK 900 RELATED ID: 2C2R   RELATED DB: PDB                                   
REMARK 900 EFFICIENT AND HIGH FIDELITY INCORPORATION OF DCTP OPPOSITE 7,8-      
REMARK 900 DIHYDRO-8- OXODEOXYGUANOSINE BY SULFOLOBUS SOLFATARICUS DNA RELATED  
REMARK 900 ENTRIES                                                              
REMARK 900 RELATED ID: 2J6S   RELATED DB: PDB                                   
REMARK 900 TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, O6-  
REMARK 900 METHYLGUANINE MODIFIED DNA, AND DATP.                                
REMARK 900 RELATED ID: 2J6U   RELATED DB: PDB                                   
REMARK 900 TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, O6-  
REMARK 900 METHYLGUANINE MODIFIED DNA, AND DGTP.                                
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 N-TERMINAL 6 HISTIDINE-TAG ADDED COMPARED TO UNIPROT                 
REMARK 999 Q97W02 SEQUENCE.                                                     
DBREF  2J6T A   -5     0  PDB    2J6T     2J6T            -5      0             
DBREF  2J6T A    1   352  UNP    Q97W02   DPO42_SULSO      1    352             
DBREF  2J6T P    1    13  PDB    2J6T     2J6T             1     13             
DBREF  2J6T T    1    18  PDB    2J6T     2J6T             1     18             
SEQRES   1 A  358  HIS HIS HIS HIS HIS HIS MET ILE VAL LEU PHE VAL ASP          
SEQRES   2 A  358  PHE ASP TYR PHE TYR ALA GLN VAL GLU GLU VAL LEU ASN          
SEQRES   3 A  358  PRO SER LEU LYS GLY LYS PRO VAL VAL VAL CYS VAL PHE          
SEQRES   4 A  358  SER GLY ARG PHE GLU ASP SER GLY ALA VAL ALA THR ALA          
SEQRES   5 A  358  ASN TYR GLU ALA ARG LYS PHE GLY VAL LYS ALA GLY ILE          
SEQRES   6 A  358  PRO ILE VAL GLU ALA LYS LYS ILE LEU PRO ASN ALA VAL          
SEQRES   7 A  358  TYR LEU PRO MET ARG LYS GLU VAL TYR GLN GLN VAL SER          
SEQRES   8 A  358  SER ARG ILE MET ASN LEU LEU ARG GLU TYR SER GLU LYS          
SEQRES   9 A  358  ILE GLU ILE ALA SER ILE ASP GLU ALA TYR LEU ASP ILE          
SEQRES  10 A  358  SER ASP LYS VAL ARG ASP TYR ARG GLU ALA TYR ASN LEU          
SEQRES  11 A  358  GLY LEU GLU ILE LYS ASN LYS ILE LEU GLU LYS GLU LYS          
SEQRES  12 A  358  ILE THR VAL THR VAL GLY ILE SER LYS ASN LYS VAL PHE          
SEQRES  13 A  358  ALA LYS ILE ALA ALA ASP MET ALA LYS PRO ASN GLY ILE          
SEQRES  14 A  358  LYS VAL ILE ASP ASP GLU GLU VAL LYS ARG LEU ILE ARG          
SEQRES  15 A  358  GLU LEU ASP ILE ALA ASP VAL PRO GLY ILE GLY ASN ILE          
SEQRES  16 A  358  THR ALA GLU LYS LEU LYS LYS LEU GLY ILE ASN LYS LEU          
SEQRES  17 A  358  VAL ASP THR LEU SER ILE GLU PHE ASP LYS LEU LYS GLY          
SEQRES  18 A  358  MET ILE GLY GLU ALA LYS ALA LYS TYR LEU ILE SER LEU          
SEQRES  19 A  358  ALA ARG ASP GLU TYR ASN GLU PRO ILE ARG THR ARG VAL          
SEQRES  20 A  358  ARG LYS SER ILE GLY ARG ILE VAL THR MET LYS ARG ASN          
SEQRES  21 A  358  SER ARG ASN LEU GLU GLU ILE LYS PRO TYR LEU PHE ARG          
SEQRES  22 A  358  ALA ILE GLU GLU SER TYR TYR LYS LEU ASP LYS ARG ILE          
SEQRES  23 A  358  PRO LYS ALA ILE HIS VAL VAL ALA VAL THR GLU ASP LEU          
SEQRES  24 A  358  ASP ILE VAL SER ARG GLY ARG THR PHE PRO HIS GLY ILE          
SEQRES  25 A  358  SER LYS GLU THR ALA TYR SER GLU SER VAL LYS LEU LEU          
SEQRES  26 A  358  GLN LYS ILE LEU GLU GLU ASP GLU ARG LYS ILE ARG ARG          
SEQRES  27 A  358  ILE GLY VAL ARG PHE SER LYS PHE ILE GLU ALA ILE GLY          
SEQRES  28 A  358  LEU ASP LYS PHE PHE ASP THR                                  
SEQRES   1 P   13   DG  DG  DG  DG  DG  DA  DA  DG  DG  DA  DT  DT  DC          
SEQRES   1 T   18   DT  DC  DA  DT 6OG  DG  DA  DA  DT  DC  DC  DT  DT          
SEQRES   2 T   18   DC  DC  DC  DC  DC                                          
MODRES 2J6T 6OG T    5   DG  6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE              
HET    6OG  T   5      23                                                       
HET    DTP  A1000      30                                                       
HET     CA  A1001       1                                                       
HET     CA  A1002       1                                                       
HET     CA  A1003       1                                                       
HETNAM     6OG 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE                            
HETNAM     DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE                                
HETNAM      CA CALCIUM ION                                                      
FORMUL   3  6OG    C11 H16 N5 O7 P                                              
FORMUL   4  DTP    C10 H16 N5 O12 P3                                            
FORMUL   5   CA    3(CA 2+)                                                     
FORMUL   8  HOH   *89(H2 O)                                                     
HELIX    1   1 TYR A   10  ASN A   20  1                                  11    
HELIX    2   2 PRO A   21  LYS A   24  5                                   4    
HELIX    3   3 ASN A   47  LYS A   52  1                                   6    
HELIX    4   4 PRO A   60  LEU A   68  1                                   9    
HELIX    5   5 ARG A   77  GLU A   94  1                                  18    
HELIX    6   6 SER A  112  VAL A  115  5                                   4    
HELIX    7   7 ASP A  117  GLU A  136  1                                  20    
HELIX    8   8 ASN A  147  LYS A  159  1                                  13    
HELIX    9   9 ASP A  167  LEU A  178  1                                  12    
HELIX   10  10 ILE A  180  VAL A  183  5                                   4    
HELIX   11  11 GLY A  187  LEU A  197  1                                  11    
HELIX   12  12 LEU A  202  ILE A  208  5                                   7    
HELIX   13  13 GLU A  209  GLY A  218  1                                  10    
HELIX   14  14 GLY A  218  ARG A  230  1                                  13    
HELIX   15  15 ASN A  257  ASP A  277  1                                  21    
HELIX   16  16 SER A  307  ASP A  326  1                                  20    
SHEET    1  AA 5 ILE A  99  SER A 103  0                                        
SHEET    2  AA 5 GLU A 106  ASP A 110 -1  O  GLU A 106   N  SER A 103           
SHEET    3  AA 5 VAL A   3  PHE A   8 -1  O  LEU A   4   N  LEU A 109           
SHEET    4  AA 5 VAL A 140  SER A 145 -1  O  THR A 141   N  ASP A   7           
SHEET    5  AA 5 ILE A 163  ILE A 166  1  O  LYS A 164   N  ILE A 144           
SHEET    1  AB 3 GLY A  41  ALA A  46  0                                        
SHEET    2  AB 3 VAL A  28  PHE A  33 -1  O  VAL A  30   N  ALA A  44           
SHEET    3  AB 3 VAL A  72  PRO A  75  1  O  VAL A  72   N  VAL A  29           
SHEET    1  AC 4 SER A 244  SER A 255  0                                        
SHEET    2  AC 4 ILE A 330  PHE A 340 -1  O  ILE A 330   N  SER A 255           
SHEET    3  AC 4 PRO A 281  THR A 290 -1  N  LYS A 282   O  LYS A 339           
SHEET    4  AC 4 ILE A 295  THR A 301 -1  O  VAL A 296   N  ALA A 288           
LINK         O3'  DT T   4                 P   6OG T   5     1555   1555  1.60  
LINK         O3' 6OG T   5                 P    DG T   6     1555   1555  1.60  
LINK         OD1 ASP A   7                CA    CA A1001     1555   1555  2.64  
LINK         OD1 ASP A   7                CA    CA A1002     1555   1555  2.85  
LINK         OD2 ASP A   7                CA    CA A1002     1555   1555  3.04  
LINK         O   PHE A   8                CA    CA A1001     1555   1555  2.26  
LINK         OD2 ASP A 105                CA    CA A1001     1555   1555  2.44  
LINK         OD1 ASP A 105                CA    CA A1002     1555   1555  2.98  
LINK         OE2 GLU A 106                CA    CA A1002     1555   1555  2.53  
LINK         O   ALA A 181                CA    CA A1003     1555   1555  2.42  
LINK         O   ILE A 186                CA    CA A1003     1555   1555  2.81  
LINK         O1G DTP A1000                CA    CA A1001     1555   1555  2.93  
LINK         O1B DTP A1000                CA    CA A1001     1555   1555  2.55  
LINK         O5' DTP A1000                CA    CA A1001     1555   1555  3.03  
LINK         O5' DTP A1000                CA    CA A1002     1555   1555  3.00  
LINK        CA    CA A1001                 O   HOH A2004     1555   1555  2.61  
LINK        CA    CA A1002                 O   HOH A2025     1555   1555  2.75  
LINK        CA    CA A1003                 O   HOH A2040     1555   1555  2.70  
LINK        CA    CA A1003                 O   HOH A2041     1555   1555  2.64  
LINK        CA    CA A1003                 O   HOH P2004     1555   1555  2.55  
LINK        CA    CA A1003                 O   HOH P2015     1555   1555  2.51  
CISPEP   1 LYS A  159    PRO A  160          0         0.12                     
SITE     1 AC1  5 ASP A   7  PHE A   8  ASP A 105  DTP A1000                    
SITE     2 AC1  5 HOH A2004                                                     
SITE     1 AC2  5 ASP A   7  ASP A 105  GLU A 106  DTP A1000                    
SITE     2 AC2  5 HOH A2025                                                     
SITE     1 AC3  6 ALA A 181  ILE A 186  HOH A2040  HOH A2041                    
SITE     2 AC3  6 HOH P2004  HOH P2015                                          
SITE     1 AC4 22 PHE A   8  ASP A   9  TYR A  10  PHE A  11                    
SITE     2 AC4 22 TYR A  12  ALA A  44  THR A  45  TYR A  48                    
SITE     3 AC4 22 ARG A  51  ALA A  57  ASP A 105  LYS A 159                    
SITE     4 AC4 22  CA A1001   CA A1002  HOH A2004  HOH A2013                    
SITE     5 AC4 22 HOH A2061  HOH A2062  HOH A2063  HOH A2064                    
SITE     6 AC4 22  DT T   4  6OG T   5                                          
CRYST1   95.012  102.949   53.013  90.00  90.00  90.00 P 21 21 2     4          
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      0.010525  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009714  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018863        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system