HEADER TRANSFERASE/DNA 15-DEC-95 8ICT
TITLE DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
TITLE 2 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DCTP (1 MILLIMOLAR) AND MNCL2
TITLE 3 (5 MILLIMOLAR)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3');
COMPND 3 CHAIN: T;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3');
COMPND 7 CHAIN: P;
COMPND 8 ENGINEERED: YES;
COMPND 9 MOL_ID: 3;
COMPND 10 MOLECULE: PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7));
COMPND 11 CHAIN: A;
COMPND 12 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES;
SOURCE 5 MOL_ID: 3;
SOURCE 6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 7 ORGANISM_COMMON: HUMAN;
SOURCE 8 ORGANISM_TAXID: 9606;
SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS DNA-DIRECTED DNA POLYMERASE, DNA REPLICATION, DNA REPAIR,
KEYWDS 2 NUCLEOTIDYLTRANSFERASE, COMPLEX (NUCLEOTIDYLTRANSFERASE-DNA,
KEYWDS 3 TRANSFERASE-DNA COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR H.PELLETIER,M.R.SAWAYA
REVDAT 4 02-AUG-23 8ICT 1 REMARK LINK
REVDAT 3 24-FEB-09 8ICT 1 VERSN
REVDAT 2 01-APR-03 8ICT 1 JRNL
REVDAT 1 15-NOV-96 8ICT 0
JRNL AUTH H.PELLETIER,M.R.SAWAYA,W.WOLFLE,S.H.WILSON,J.KRAUT
JRNL TITL A STRUCTURAL BASIS FOR METAL ION MUTAGENICITY AND NUCLEOTIDE
JRNL TITL 2 SELECTIVITY IN HUMAN DNA POLYMERASE BETA
JRNL REF BIOCHEMISTRY V. 35 12762 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8841119
JRNL DOI 10.1021/BI9529566
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.R.SAWAYA,T.RAWSON,S.H.WILSON,J.KRAUT,H.PELLETIER
REMARK 1 TITL CRYSTAL STRUCTURES OF HUMAN DNA POLYMERASE BETA COMPLEXED
REMARK 1 TITL 2 WITH NICKED AND GAPPED DNA SUBSTRATES
REMARK 1 REF TO BE PUBLISHED
REMARK 1 REFN
REMARK 1 REFERENCE 2
REMARK 1 AUTH H.PELLETIER
REMARK 1 TITL THE ROLE OF THUMB MOVEMENT AND TEMPLATE BENDING IN
REMARK 1 TITL 2 POLYMERASE FIDELITY
REMARK 1 REF TO BE PUBLISHED
REMARK 1 REFN
REMARK 1 REFERENCE 3
REMARK 1 AUTH H.PELLETIER,M.R.SAWAYA,W.WOLFLE,S.H.WILSON,J.KRAUT
REMARK 1 TITL CRYSTAL STRUCTURES OF HUMAN DNA POLYMERASE BETA COMPLEXED
REMARK 1 TITL 2 WITH DNA; IMPLICATIONS FOR CATALYTIC MECHANISM,
REMARK 1 TITL 3 PROCESSIVITY, AND FIDELITY
REMARK 1 REF BIOCHEMISTRY V. 35 12742 1996
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 4
REMARK 1 AUTH H.PELLETIER,M.R.SAWAYA
REMARK 1 TITL CHARACTERIZATION OF THE METAL ION-BINDING HHH MOTIFS IN
REMARK 1 TITL 2 HUMAN DNA POLYMERASE BETA BY X-RAY STRUCTURAL ANALYSIS
REMARK 1 REF BIOCHEMISTRY V. 35 12778 1996
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 5
REMARK 1 AUTH H.PELLETIER
REMARK 1 TITL POLYMERASE STRUCTURES AND MECHANISM
REMARK 1 REF SCIENCE V. 266 2025 1994
REMARK 1 REFN ISSN 0036-8075
REMARK 1 REFERENCE 6
REMARK 1 AUTH H.PELLETIER,M.R.SAWAYA,A.KUMAR,S.H.WILSON,J.KRAUT
REMARK 1 TITL STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA,
REMARK 1 TITL 2 A DNA TEMPLATE- PRIMER, AND DDCTP
REMARK 1 REF SCIENCE V. 264 1891 1994
REMARK 1 REFN ISSN 0036-8075
REMARK 1 REFERENCE 7
REMARK 1 AUTH M.R.SAWAYA,H.PELLETIER,A.KUMAR,S.H.WILSON,J.KRAUT
REMARK 1 TITL CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A
REMARK 1 TITL 2 COMMON POLYMERASE MECHANISM
REMARK 1 REF SCIENCE V. 264 1930 1994
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. 3.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : TNT 5-D
REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 94.0
REMARK 3 NUMBER OF REFLECTIONS : 9110
REMARK 3
REMARK 3 USING DATA ABOVE SIGMA CUTOFF.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING + TEST SET) : 0.174
REMARK 3 R VALUE (WORKING SET) : NULL
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 USING ALL DATA, NO SIGMA CUTOFF.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.1740
REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 2623
REMARK 3 NUCLEIC ACID ATOMS : 289
REMARK 3 HETEROGEN ATOMS : 24
REMARK 3 SOLVENT ATOMS : 132
REMARK 3
REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT
REMARK 3 BOND LENGTHS (A) : 0.016 ; 0.020 ; 3017
REMARK 3 BOND ANGLES (DEGREES) : 2.900 ; 3.000 ; 4079
REMARK 3 TORSION ANGLES (DEGREES) : 18.700; NULL ; 1805
REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
REMARK 3 TRIGONAL CARBON PLANES (A) : 0.018 ; 0.020 ; 73
REMARK 3 GENERAL PLANES (A) : 0.005 ; 0.020 ; 395
REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 6.300 ; 6.000 ; 3004
REMARK 3 NON-BONDED CONTACTS (A) : 0.021 ; 0.020 ; 195
REMARK 3
REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : MOEWS
REMARK 3 KSOL : 0.80
REMARK 3 BSOL : 658.5
REMARK 3
REMARK 3 RESTRAINT LIBRARIES.
REMARK 3 STEREOCHEMISTRY : STANDARD TNT
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 8ICT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY NDB.
REMARK 100 THE DEPOSITION ID IS D_1000179998.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 20-FEB-95
REMARK 200 TEMPERATURE (KELVIN) : 298.00
REMARK 200 PH : 6.5
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 : RIGAKU RU200
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : NULL
REMARK 200 MONOCHROMATOR : GRAPHITE
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : AREA DETECTOR
REMARK 200 DETECTOR MANUFACTURER : SDMS
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SDMS
REMARK 200 DATA SCALING SOFTWARE : SDMS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9110
REMARK 200 RESOLUTION RANGE HIGH (A) : 3.100
REMARK 200 RESOLUTION RANGE LOW (A) : 20.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 94.0
REMARK 200 DATA REDUNDANCY : 2.000
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.05700
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.10
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.20
REMARK 200 COMPLETENESS FOR SHELL (%) : 92.0
REMARK 200 DATA REDUNDANCY IN SHELL : 1.40
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.15300
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER
REMARK 200 SOFTWARE USED: TNT V. 5-D
REMARK 200 STARTING MODEL: 8ICB
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 58.40
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.00
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: THIS ENTRY DESCRIBES THE STRUCTURE
REMARK 280 THAT RESULTED WHEN A COCRYSTAL OF HUMAN DNA POLYMERASE BETA
REMARK 280 COMPLEXED WITH 7 BASE PAIRS OF DNA (SEE ENTRY 9ICJ AND REFERENCE
REMARK 280 1) HAD BEEN SOAKED IN THE FOLLOWING SOLUTION FOR 24 HOURS: PEG
REMARK 280 3350, 16% MES, 100 MILLIMOLAR, PH 6.5 NACL, 150 MILLIMOLAR DCTP,
REMARK 280 1 MILLIMOLAR MNCL2, 5 MILLIMOLAR SEE REFERENCE 2 FOR DETAILS
REMARK 280 CONCERNING EXPERIMENTAL PROCEDURES, RESULTS, AND DISCUSSION FOR
REMARK 280 THIS STRUCTURE.
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 89.94450
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.79300
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 89.94450
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.79300
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 APPLY THE FOLLOWING TO CHAINS: T, P, A
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 400
REMARK 400 COMPOUND
REMARK 400 A POSSIBLE PHYSIOLOGICAL SUBSTRATE FOR POL BETA IS A DNA
REMARK 400 GAP, WHERE THE LENGTH OF THE GAP CAN RANGE FROM ONE TO SIX
REMARK 400 NUCLEOTIDES, AND THE DOWNSTREAM END OF THE DNA GAP IS
REMARK 400 5'-PHOSPHORYLATED. IN ORDER TO CREATE VARIOUS GAPPED-DNA
REMARK 400 SUBSTRATES FOR USE IN POL BETA-DNA CO-CRYSTALLIZATION
REMARK 400 ATTEMPTS, THE AUTHORS HAD TO ANNEAL THREE DIFFERENT
REMARK 400 OLIGONUCLEOTIDES TOGETHER PRIOR TO CRYSTALLIZATION:
REMARK 400 (1) A RELATIVELY LONG (14 TO 20 MER) OLIGONUCLEOTIDE THAT
REMARK 400 WAS TO SERVE AS THE TEMPLATE, (2) ONE SHORTER (5 OR 6 MER)
REMARK 400 OLIGONUCLEOTIDE THAT WAS TO SERVE AS THE PRIMER, AND (3)
REMARK 400 ANOTHER SHORTER (4 TO 10 MER) OLIGONUCLEOTIDE THAT WAS
REMARK 400 5'-PHOSPHORYLATED AND WAS TO SERVE AS THE DOWNSTREAM
REMARK 400 OLIGONUCLEOTIDE. DNA SEQUENCES CORRESPONDING TO THE
REMARK 400 TEMPLATE, THE PRIMER, AND THE DOWNSTREAM OLIGONUCLEOTIDE
REMARK 400 FOR THE CRYSTAL STRUCTURE PRESENTED HERE ARE:
REMARK 400 5'-CATTAGAAAGGGAAGCGCCG-3' (20-MER), 5'-CGGCGC-3' (6-MER),
REMARK 400 AND 5'-PO4-TCTAATG-3' (7-MER), RESPECTIVELY, WHERE "5'-PO4"
REMARK 400 INDICATES THAT THE 5' TERMINUS OF THIS OLIGONUCLEOTIDE IS
REMARK 400 5'-PHOSPHORYLATED. HOWEVER, AN UNEXPECTED POL BETA-DNA
REMARK 400 COMPLEX RESULTED FROM THE CO-CRYSTALLIZATION ATTEMPTS SO
REMARK 400 THAT WHAT WAS ORIGINALLY INTENDED TO BE THE
REMARK 400 5'-PHOSPHORYLATED DOWNSTREAM OLIGONUCLEOTIDE IS BOUND
REMARK 400 WHERE THE PRIMER STRAND WAS EXPECTED TO BIND (SEE REFERENCE
REMARK 400 1). IN ADDITION, A MAJORITY OF THE GAPPED-DNA SUBSTRATE
REMARK 400 (THAT IS, SIX BASE PAIRS OF TEMPLATE-PRIMER TETHERED TO A
REMARK 400 FLEXIBLE, SINGLE-STRANDED DNA GAP) IS TOO DISORDERED TO BE
REMARK 400 OBSERVABLE IN THE CRYSTAL STRUCTURE, ALTHOUGH IT IS
REMARK 400 NEVERTHELESS THOUGHT TO BE PRESENT IN THE CRYSTAL LATTICE
REMARK 400 (SEE REFERENCE 1). THE END RESULT IS THAT, ALTHOUGH THE
REMARK 400 AFOREMENTIONED TEMPLATE IS STILL REFERRED TO AS THE
REMARK 400 TEMPLATE IN THE STRUCTURES PRESENTED HERE, THE
REMARK 400 AFOREMENTIONED "DOWNSTREAM OLIGONUCLEOTIDE" IS NOW CALLED
REMARK 400 THE "PRIMER" -- BY ANALOGY WITH PREVIOUSLY REPORTED POL
REMARK 400 BETA-DNA-DDCTP TERNARY COMPLEX STRUCTURES (SEE ENTRIES
REMARK 400 2BPF AND 2BPG AND REFERENCE 8). ONLY THE DNA NUCLEOTIDES
REMARK 400 THAT WERE VISIBLE IN THE STRUCTURE ARE INCLUDED IN THE
REMARK 400 SEQRES SECTION BELOW.
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 MET A 1
REMARK 465 SER A 2
REMARK 465 LYS A 3
REMARK 465 ARG A 4
REMARK 465 LYS A 5
REMARK 465 ALA A 6
REMARK 465 PRO A 7
REMARK 465 GLN A 8
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 DA T 8 C5' C4' O4' C3' O3' C2' C1'
REMARK 470 DA T 8 N9 C8 N7 C5 C6 N6 N1
REMARK 470 DA T 8 C2 N3 C4
REMARK 475
REMARK 475 ZERO OCCUPANCY RESIDUES
REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY.
REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT
REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE)
REMARK 475 M RES C SSEQI
REMARK 475 GLU A 9
REMARK 475 GLU A 247
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 DC T 1 O3' DC T 1 C3' 0.083
REMARK 500 DA T 5 O3' DA T 5 C3' -0.043
REMARK 500 DA T 5 C5 DA T 5 N7 -0.043
REMARK 500 DG T 6 O3' DG T 6 C3' -0.066
REMARK 500 DA T 7 N9 DA T 7 C4 -0.036
REMARK 500 DT P 1 O3' DT P 1 C3' -0.106
REMARK 500 GLU A 58 CD GLU A 58 OE1 0.067
REMARK 500 GLU A 86 CD GLU A 86 OE1 0.070
REMARK 500 GLU A 117 CD GLU A 117 OE2 0.067
REMARK 500 GLU A 129 CD GLU A 129 OE1 0.067
REMARK 500 GLU A 147 CD GLU A 147 OE2 0.076
REMARK 500 GLU A 172 CD GLU A 172 OE2 0.068
REMARK 500 GLU A 216 CD GLU A 216 OE2 0.073
REMARK 500 GLU A 249 CD GLU A 249 OE2 0.079
REMARK 500 GLU A 295 CD GLU A 295 OE2 0.072
REMARK 500 GLU A 329 CD GLU A 329 OE2 0.067
REMARK 500 GLU A 335 CD GLU A 335 OE2 0.070
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 DC T 1 O4' - C1' - C2' ANGL. DEV. = 3.1 DEGREES
REMARK 500 DC T 1 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 DC T 1 C6 - N1 - C1' ANGL. DEV. = -12.2 DEGREES
REMARK 500 DC T 1 C2 - N1 - C1' ANGL. DEV. = 11.4 DEGREES
REMARK 500 DC T 1 C3' - O3' - P ANGL. DEV. = 12.6 DEGREES
REMARK 500 DA T 2 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 DT T 3 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 DT T 3 C4 - C5 - C7 ANGL. DEV. = 4.7 DEGREES
REMARK 500 DT T 3 C6 - C5 - C7 ANGL. DEV. = -5.3 DEGREES
REMARK 500 DT T 4 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 DT T 4 C6 - N1 - C1' ANGL. DEV. = -30.1 DEGREES
REMARK 500 DT T 4 C2 - N1 - C1' ANGL. DEV. = 29.0 DEGREES
REMARK 500 DA T 5 N1 - C6 - N6 ANGL. DEV. = 6.2 DEGREES
REMARK 500 DG T 6 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DG T 6 C8 - N9 - C1' ANGL. DEV. = 10.3 DEGREES
REMARK 500 DG T 6 C4 - N9 - C1' ANGL. DEV. = -11.5 DEGREES
REMARK 500 DG T 6 C3' - O3' - P ANGL. DEV. = -8.0 DEGREES
REMARK 500 DT P 1 C6 - N1 - C1' ANGL. DEV. = -14.9 DEGREES
REMARK 500 DT P 1 C2 - N1 - C1' ANGL. DEV. = 14.9 DEGREES
REMARK 500 DC P 2 C4' - C3' - C2' ANGL. DEV. = -4.8 DEGREES
REMARK 500 DC P 2 O4' - C1' - N1 ANGL. DEV. = 6.5 DEGREES
REMARK 500 DC P 2 C6 - N1 - C1' ANGL. DEV. = -20.8 DEGREES
REMARK 500 DC P 2 C2 - N1 - C1' ANGL. DEV. = 21.7 DEGREES
REMARK 500 DT P 3 O5' - C5' - C4' ANGL. DEV. = -5.0 DEGREES
REMARK 500 DT P 3 N1 - C1' - C2' ANGL. DEV. = 8.7 DEGREES
REMARK 500 DT P 3 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DT P 3 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 DT P 3 C4 - C5 - C7 ANGL. DEV. = -4.2 DEGREES
REMARK 500 DT P 3 C6 - N1 - C1' ANGL. DEV. = -21.4 DEGREES
REMARK 500 DT P 3 C2 - N1 - C1' ANGL. DEV. = 22.6 DEGREES
REMARK 500 DA P 4 O4' - C4' - C3' ANGL. DEV. = 3.6 DEGREES
REMARK 500 DA P 4 C8 - N9 - C1' ANGL. DEV. = -14.8 DEGREES
REMARK 500 DA P 4 C4 - N9 - C1' ANGL. DEV. = 14.9 DEGREES
REMARK 500 DA P 4 C3' - O3' - P ANGL. DEV. = 9.7 DEGREES
REMARK 500 DA P 5 C8 - N9 - C1' ANGL. DEV. = -19.6 DEGREES
REMARK 500 DA P 5 C4 - N9 - C1' ANGL. DEV. = 19.5 DEGREES
REMARK 500 DT P 6 C3' - C2' - C1' ANGL. DEV. = -6.4 DEGREES
REMARK 500 DT P 6 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 DT P 6 C5 - C4 - O4 ANGL. DEV. = -4.8 DEGREES
REMARK 500 DT P 6 C4 - C5 - C7 ANGL. DEV. = -4.4 DEGREES
REMARK 500 DT P 6 C6 - N1 - C1' ANGL. DEV. = -25.9 DEGREES
REMARK 500 DT P 6 C2 - N1 - C1' ANGL. DEV. = 23.4 DEGREES
REMARK 500 DG P 7 C8 - N9 - C1' ANGL. DEV. = 33.8 DEGREES
REMARK 500 DG P 7 C4 - N9 - C1' ANGL. DEV. = -33.5 DEGREES
REMARK 500 ASN A 12 CB - CA - C ANGL. DEV. = 13.2 DEGREES
REMARK 500 PRO A 50 C - N - CA ANGL. DEV. = 12.3 DEGREES
REMARK 500 PRO A 50 C - N - CD ANGL. DEV. = -13.2 DEGREES
REMARK 500 VAL A 65 N - CA - CB ANGL. DEV. = 14.0 DEGREES
REMARK 500 ASP A 74 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 ASP A 74 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 84 ANGLE DEVIATIONS.
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 THR A 10 -36.21 -156.36
REMARK 500 ASN A 28 -63.61 -90.29
REMARK 500 LYS A 60 -29.69 -35.06
REMARK 500 ASP A 91 104.45 -39.82
REMARK 500 SER A 104 103.60 -55.48
REMARK 500 VAL A 169 -88.11 -62.01
REMARK 500 ALA A 185 124.21 -27.60
REMARK 500 SER A 202 -66.18 -11.01
REMARK 500 GLU A 203 -74.52 -85.15
REMARK 500 SER A 204 48.60 -12.80
REMARK 500 THR A 205 59.54 10.30
REMARK 500 LYS A 206 -161.73 50.56
REMARK 500 GLN A 207 58.61 166.63
REMARK 500 PRO A 208 -29.50 -31.39
REMARK 500 HIS A 222 36.70 76.26
REMARK 500 THR A 233 -16.92 -150.28
REMARK 500 GLN A 240 128.94 -171.43
REMARK 500 SER A 243 93.43 -69.60
REMARK 500 LYS A 244 -137.73 -26.99
REMARK 500 ASP A 246 168.81 6.86
REMARK 500 GLU A 247 -18.52 123.87
REMARK 500 LYS A 262 -33.83 -30.94
REMARK 500 GLN A 264 -15.43 -141.12
REMARK 500 TYR A 265 -87.61 -36.51
REMARK 500 LYS A 289 13.29 -68.89
REMARK 500 GLU A 295 -14.21 -43.15
REMARK 500 TYR A 296 -7.18 -140.56
REMARK 500 THR A 304 -17.59 -48.62
REMARK 500 GLU A 309 51.50 89.36
REMARK 500 PRO A 310 82.37 -32.22
REMARK 500 SER A 315 166.79 179.42
REMARK 500 GLN A 324 82.90 45.90
REMARK 500
REMARK 500 REMARK: NULL
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610 M RES C SSEQI
REMARK 610 DCP A 338
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 NA A 341 NA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DT P 6 OP1
REMARK 620 2 HOH P 601 O 82.7
REMARK 620 3 THR A 101 O 148.2 93.8
REMARK 620 4 VAL A 103 O 103.4 141.0 99.0
REMARK 620 5 ILE A 106 O 84.5 120.6 70.1 98.4
REMARK 620 N 1 2 3 4
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 MN A 339 MN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP A 190 OD1
REMARK 620 2 ASP A 192 OD1 116.0
REMARK 620 3 DCP A 338 O1A 75.0 116.4
REMARK 620 4 DCP A 338 O2B 145.7 98.1 93.9
REMARK 620 5 DCP A 338 O1G 95.6 115.9 125.4 64.1
REMARK 620 N 1 2 3 4
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 MN A 340 MN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP A 190 OD2
REMARK 620 2 ASP A 192 OD2 113.6
REMARK 620 3 DCP A 338 O1A 86.9 100.8
REMARK 620 N 1 2
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MN A 339
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MN A 340
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 341
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 342
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DCP A 338
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 7ICE RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF CACL2
REMARK 900 RELATED ID: 7ICF RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR)
REMARK 900 (FOUR-DAY SOAK)
REMARK 900 RELATED ID: 7ICG RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF CDCL2
REMARK 900 RELATED ID: 7ICH RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF COCL2
REMARK 900 RELATED ID: 7ICI RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CRCL3 (0.1 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICJ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CUCL2 (0.1 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICK RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF MGCL2
REMARK 900 RELATED ID: 7ICL RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICM RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (1.0 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICN RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF NICL2
REMARK 900 RELATED ID: 7ICO RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ZNCL2
REMARK 900 RELATED ID: 7ICP RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF ZNCL2 (0.01 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICQ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ZNCL2
REMARK 900 RELATED ID: 7ICR RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ZNCL2
REMARK 900 RELATED ID: 7ICS RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ZNCL2
REMARK 900 RELATED ID: 7ICT RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ZNCL2 AND MGCL2
REMARK 900 RELATED ID: 7ICU RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR)
REMARK 900 RELATED ID: 7ICV RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR) AND
REMARK 900 IN THE ABSENCE OF NACL
REMARK 900 RELATED ID: 8ICA RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 CACL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICB RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF ARTIFICIAL MOTHER LIQUOR
REMARK 900 RELATED ID: 8ICC RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA (NO 5'-PHOSPHATE)
REMARK 900 RELATED ID: 8ICE RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 CDCL2 (1 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICF RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (10 MILLIMOLAR) AND
REMARK 900 MGCL2 (50 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICG RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 MGCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICH RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DCTP (1 MILLIMOLAR) AND
REMARK 900 MGCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICI RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DGTP (1 MILLIMOLAR) AND
REMARK 900 MGCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICJ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + THYMIDINE-5'-
REMARK 900 TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DTTP AND MGCL2
REMARK 900 RELATED ID: 8ICK RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR), MGCL2
REMARK 900 (5 MILLIMOLAR), AND MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICL RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 NICL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICM RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR), MNCL2
REMARK 900 (5 MILLIMOLAR), AND AMMONIUM SULFATE (75 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICN RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF ATP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICO RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF AZT-TP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICP RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICQ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF OF DATP (0.1 MILLIMOLAR)
REMARK 900 AND MNCL2 (0.5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICR RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICS RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DCTP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICU RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DDATP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICV RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DGTP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICW RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DTTP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICX RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DTTP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 8ICY RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + THYMIDINE-5'-
REMARK 900 TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DTTP AND MNCL2
REMARK 900 RELATED ID: 8ICZ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF OF DATP (1 MILLIMOLAR),
REMARK 900 MNCL2 (5 MILLIMOLAR), AND LITHIUM SULFATE (75 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICA RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'
REMARK 900 -O-(1-THIOTRIPHOSPHATE), SOAKED IN THE PRESENCE OF DATP(ALPHA)S AND
REMARK 900 MNCL2
REMARK 900 RELATED ID: 9ICB RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'
REMARK 900 -TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND COCL2
REMARK 900 RELATED ID: 9ICC RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'
REMARK 900 -TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND CRCL3
REMARK 900 RELATED ID: 9ICE RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 CUCL2 (0.1 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICF RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'
REMARK 900 -TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND ZNCL2
REMARK 900 RELATED ID: 9ICG RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DCTP (1 MILLIMOLAR) AND
REMARK 900 ZNCL2 (1 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICH RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DGTP (1 MILLIMOLAR) AND
REMARK 900 ZNCL2 (1 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICI RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DTTP (1 MILLIMOLAR) AND
REMARK 900 ZNCL2 (1 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICJ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA
REMARK 900 RELATED ID: 9ICK RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF ARTIFICIAL MOTHER LIQUOR
REMARK 900 RELATED ID: 9ICL RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF PYROPHOSPHATE AND MNCL2
REMARK 900 RELATED ID: 9ICM RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DOUBLE STRANDED DNA (NO 5'-PHOSPHATE)
REMARK 900 RELATED ID: 9ICN RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2',3'-
REMARK 900 DIDEOXYCYTIDINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DDCTP
REMARK 900 AND MGCL2
REMARK 900 RELATED ID: 9ICO RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF DTTP AND MGCL2
REMARK 900 RELATED ID: 9ICP RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF PYROPHOSPHATE (1 MILLIMOLAR)
REMARK 900 AND MGCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICQ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICR RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYCYTIDINE-5'-
REMARK 900 TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DCTP AND MNCL2
REMARK 900 RELATED ID: 9ICS RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2',3'-
REMARK 900 DIDEOXYCYTIDINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DDCTP
REMARK 900 AND MNCL2
REMARK 900 RELATED ID: 9ICT RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYGUANOSINE-5'
REMARK 900 -TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DGTP AND MNCL2
REMARK 900 RELATED ID: 9ICU RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DTTP (1 MILLIMOLAR) AND
REMARK 900 MNCL2 (5 MILLIMOLAR)
REMARK 900 RELATED ID: 9ICV RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'
REMARK 900 -TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND ZNCL2
REMARK 900 RELATED ID: 9ICW RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA; NATIVE STRUCTURE
REMARK 900 RELATED ID: 9ICX RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
REMARK 900 PAIRS OF DNA (NON GAPPED DNA ONLY)
REMARK 900 RELATED ID: 9ICY RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS
REMARK 900 OF DNA (NON GAPPED DNA ONLY)
REMARK 900 RELATED ID: 1ZQA RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (150 MILLIMOLAR) AT PH
REMARK 900 7.5
REMARK 900 RELATED ID: 1ZQB RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF BACL2 (150 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQC RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQD RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (150 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQE RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CRCL3 (SATURATED SOLUTION)
REMARK 900 RELATED ID: 1ZQF RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CSCL (150 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQG RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL
REMARK 900 MOTHER LIQUOR AT PH 6.5
REMARK 900 RELATED ID: 1ZQH RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL
REMARK 900 MOTHER LIQUOR AT PH 7.5
REMARK 900 RELATED ID: 1ZQI RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (150 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQJ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR) AND
REMARK 900 MGCL2 (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQK RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (75 MILLIMOLAR) AND
REMARK 900 MGCL2 (75 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQL RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR) AND
REMARK 900 MGCL2 (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQM RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQN RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF BACL2 (15 MILLIMOLAR) AND
REMARK 900 NACL (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQO RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR) AND
REMARK 900 NACL (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQP RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (75 MILLIMOLAR) AND
REMARK 900 NACL (75 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQQ RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR) AND
REMARK 900 NACL (15 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQR RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE
REMARK 900 PRESENCE OF NICL2
REMARK 900 RELATED ID: 1ZQS RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF TLCL (0.5 MILLIMOLAR)
REMARK 900 RELATED ID: 1ZQT RELATED DB: PDB
REMARK 900 DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE
REMARK 900 PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (0.01 MILLIMOLAR) AND
REMARK 900 ZNCL2 (0.02 MILLIMOLAR)
DBREF 8ICT A 2 335 UNP P06746 DPOB_HUMAN 1 334
DBREF 8ICT T 1 8 PDB 8ICT 8ICT 1 8
DBREF 8ICT P 1 7 PDB 8ICT 8ICT 1 7
SEQRES 1 T 8 DC DA DT DT DA DG DA DA
SEQRES 1 P 7 DT DC DT DA DA DT DG
SEQRES 1 A 335 MET SER LYS ARG LYS ALA PRO GLN GLU THR LEU ASN GLY
SEQRES 2 A 335 GLY ILE THR ASP MET LEU THR GLU LEU ALA ASN PHE GLU
SEQRES 3 A 335 LYS ASN VAL SER GLN ALA ILE HIS LYS TYR ASN ALA TYR
SEQRES 4 A 335 ARG LYS ALA ALA SER VAL ILE ALA LYS TYR PRO HIS LYS
SEQRES 5 A 335 ILE LYS SER GLY ALA GLU ALA LYS LYS LEU PRO GLY VAL
SEQRES 6 A 335 GLY THR LYS ILE ALA GLU LYS ILE ASP GLU PHE LEU ALA
SEQRES 7 A 335 THR GLY LYS LEU ARG LYS LEU GLU LYS ILE ARG GLN ASP
SEQRES 8 A 335 ASP THR SER SER SER ILE ASN PHE LEU THR ARG VAL SER
SEQRES 9 A 335 GLY ILE GLY PRO SER ALA ALA ARG LYS PHE VAL ASP GLU
SEQRES 10 A 335 GLY ILE LYS THR LEU GLU ASP LEU ARG LYS ASN GLU ASP
SEQRES 11 A 335 LYS LEU ASN HIS HIS GLN ARG ILE GLY LEU LYS TYR PHE
SEQRES 12 A 335 GLY ASP PHE GLU LYS ARG ILE PRO ARG GLU GLU MET LEU
SEQRES 13 A 335 GLN MET GLN ASP ILE VAL LEU ASN GLU VAL LYS LYS VAL
SEQRES 14 A 335 ASP SER GLU TYR ILE ALA THR VAL CYS GLY SER PHE ARG
SEQRES 15 A 335 ARG GLY ALA GLU SER SER GLY ASP MET ASP VAL LEU LEU
SEQRES 16 A 335 THR HIS PRO SER PHE THR SER GLU SER THR LYS GLN PRO
SEQRES 17 A 335 LYS LEU LEU HIS GLN VAL VAL GLU GLN LEU GLN LYS VAL
SEQRES 18 A 335 HIS PHE ILE THR ASP THR LEU SER LYS GLY GLU THR LYS
SEQRES 19 A 335 PHE MET GLY VAL CYS GLN LEU PRO SER LYS ASN ASP GLU
SEQRES 20 A 335 LYS GLU TYR PRO HIS ARG ARG ILE ASP ILE ARG LEU ILE
SEQRES 21 A 335 PRO LYS ASP GLN TYR TYR CYS GLY VAL LEU TYR PHE THR
SEQRES 22 A 335 GLY SER ASP ILE PHE ASN LYS ASN MET ARG ALA HIS ALA
SEQRES 23 A 335 LEU GLU LYS GLY PHE THR ILE ASN GLU TYR THR ILE ARG
SEQRES 24 A 335 PRO LEU GLY VAL THR GLY VAL ALA GLY GLU PRO LEU PRO
SEQRES 25 A 335 VAL ASP SER GLU LYS ASP ILE PHE ASP TYR ILE GLN TRP
SEQRES 26 A 335 LYS TYR ARG GLU PRO LYS ASP ARG SER GLU
HET MN A 339 1
HET MN A 340 1
HET NA A 341 1
HET NA A 342 1
HET DCP A 338 20
HETNAM MN MANGANESE (II) ION
HETNAM NA SODIUM ION
HETNAM DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
FORMUL 4 MN 2(MN 2+)
FORMUL 6 NA 2(NA 1+)
FORMUL 8 DCP C9 H16 N3 O13 P3
FORMUL 9 HOH *132(H2 O)
HELIX 1 A GLY A 13 ASN A 28 1 16
HELIX 2 B ILE A 33 LYS A 48 1 16
HELIX 3 C SER A 55 LYS A 61 1 7
HELIX 4 D THR A 67 THR A 79 1 13
HELIX 5 E ARG A 83 GLN A 90 1 8
HELIX 6 F ASP A 92 ARG A 102 1 11
HELIX 7 G PRO A 108 GLY A 118 1 11
HELIX 8 H LEU A 122 LYS A 131 1 10
HELIX 9 I HIS A 134 GLU A 147 1 14
HELIX 10 J ARG A 152 VAL A 169 1 18
HELIX 11 K GLY A 179 GLY A 184 1 6
HELIX 12 L PRO A 208 LYS A 220 5 13
HELIX 13 M LYS A 262 THR A 273 5 12
HELIX 14 N ASP A 276 GLU A 288 1 13
HELIX 15 O GLU A 316 ILE A 323 1 8
HELIX 16 P PRO A 330 ASP A 332 5 3
SHEET 1 A 5 ILE A 174 CYS A 178 0
SHEET 2 A 5 MET A 191 THR A 196 -1 N THR A 196 O ILE A 174
SHEET 3 A 5 ARG A 253 ARG A 258 1 N ASP A 256 O MET A 191
SHEET 4 A 5 LYS A 234 CYS A 239 -1 N CYS A 239 O ARG A 253
SHEET 5 A 5 ILE A 224 THR A 227 -1 N ASP A 226 O VAL A 238
SHEET 1 B 2 PHE A 291 ASN A 294 0
SHEET 2 B 2 THR A 297 PRO A 300 -1 N ARG A 299 O THR A 292
LINK OP1 DT P 6 NA NA A 341 1555 1555 2.16
LINK O HOH P 601 NA NA A 341 1555 1555 2.80
LINK O LEU A 62 NA NA A 342 1555 1555 2.34
LINK O THR A 101 NA NA A 341 1555 1555 2.15
LINK O VAL A 103 NA NA A 341 1555 1555 2.22
LINK O ILE A 106 NA NA A 341 1555 1555 2.81
LINK OD1 ASP A 190 MN MN A 339 1555 1555 2.46
LINK OD2 ASP A 190 MN MN A 340 1555 1555 2.35
LINK OD1 ASP A 192 MN MN A 339 1555 1555 2.53
LINK OD2 ASP A 192 MN MN A 340 1555 1555 2.33
LINK O1A DCP A 338 MN MN A 339 1555 1555 1.78
LINK O2B DCP A 338 MN MN A 339 1555 1555 2.73
LINK O1G DCP A 338 MN MN A 339 1555 1555 2.57
LINK O1A DCP A 338 MN MN A 340 1555 1555 2.63
CISPEP 1 GLY A 274 SER A 275 0 0.24
SITE 1 AC1 4 ASP A 190 ASP A 192 DCP A 338 MN A 340
SITE 1 AC2 6 ASP A 190 ASP A 192 ASP A 256 DCP A 338
SITE 2 AC2 6 MN A 339 DG P 7
SITE 1 AC3 8 THR A 101 ARG A 102 VAL A 103 SER A 104
SITE 2 AC3 8 GLY A 105 ILE A 106 DT P 6 HOH P 601
SITE 1 AC4 3 LYS A 60 LYS A 61 LEU A 62
SITE 1 AC5 12 ARG A 149 GLY A 179 SER A 180 SER A 188
SITE 2 AC5 12 GLY A 189 ASP A 190 ASP A 192 TYR A 271
SITE 3 AC5 12 PHE A 272 ASP A 276 MN A 339 MN A 340
CRYST1 179.889 57.586 48.181 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 0.005559 0.000000 0.000000 0.00000
SCALE2 0.000000 0.017365 0.000000 0.00000
SCALE3 0.000000 0.000000 0.020755 0.00000
(ATOM LINES ARE NOT SHOWN.)
END