HEADER TRANSFERASE/DNA 24-OCT-96 7ICV
TITLE DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE
TITLE 2 PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR) AND IN
TITLE 3 THE ABSENCE OF NACL
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3');
COMPND 3 CHAIN: T;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: DNA (5'-D(*CP*AP*GP*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 7ICV 1 REMARK LINK
REVDAT 3 24-FEB-09 7ICV 1 JRNL VERSN
REVDAT 2 01-APR-03 7ICV 1 JRNL
REVDAT 1 15-NOV-96 7ICV 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. 2.80 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) : 2.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 85.0
REMARK 3 NUMBER OF REFLECTIONS : 11029
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) : NULL
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) : NULL
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 : 248
REMARK 3 HETEROGEN ATOMS : 2
REMARK 3 SOLVENT ATOMS : 151
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) : 0.019 ; 0.020 ; 2950
REMARK 3 BOND ANGLES (DEGREES) : 3.000 ; 3.000 ; 3981
REMARK 3 TORSION ANGLES (DEGREES) : 23.900; 0.000 ; 1776
REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
REMARK 3 TRIGONAL CARBON PLANES (A) : 0.014 ; 0.020 ; 73
REMARK 3 GENERAL PLANES (A) : 0.005 ; 0.020 ; 393
REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 5.700 ; 6.000 ; 2950
REMARK 3 NON-BONDED CONTACTS (A) : 0.023 ; 0.020 ; 163
REMARK 3
REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : NULL
REMARK 3 BSOL : NULL
REMARK 3
REMARK 3 RESTRAINT LIBRARIES.
REMARK 3 STEREOCHEMISTRY : NULL
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 7ICV 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_1000179923.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 27-MAR-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 : 11029
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800
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 (%) : 85.0
REMARK 200 DATA REDUNDANCY : 2.400
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.05500
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) : 2.80
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90
REMARK 200 COMPLETENESS FOR SHELL (%) : 76.0
REMARK 200 DATA REDUNDANCY IN SHELL : 1.70
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.18500
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: 9ICK
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 59.30
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 6 BASE PAIRS OF DNA (SEE ENTRY 9ICW AND REFERENCE
REMARK 280 1) HAD BEEN SOAKED IN THE FOLLOWING SOLUTION FOR 2 DAYS: PEG
REMARK 280 3350, 16% MES, 100 MILLIMOLAR, PH 6.5 MNCL2, 0.1 MILLIMOLAR SEE
REMARK 280 REFERENCE 2 FOR DETAILS CONCERNING EXPERIMENTAL PROCEDURES,
REMARK 280 RESULTS, AND DISCUSSION FOR 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 89.20900
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.85200
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 89.20900
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.85200
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'-CATCTGTTGTAAGCGCCG-3' (18-MER), 5'-CGGCGC-3' (6-MER),
REMARK 400 AND 5'-PO4-CAGATG-3' (6-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 DT T 8 C5' C4' O4' C3' O3' C2' C1'
REMARK 470 DT T 8 N1 C2 O2 N3 C4 O4 C5
REMARK 470 DT T 8 C7 C6
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 ASP A 246
REMARK 475 GLU A 247
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 NH1 ARG A 83 CB GLU A 117 3558 1.80
REMARK 500
REMARK 500 REMARK: NULL
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 DA T 3 O3' DA T 3 C3' -0.038
REMARK 500 DT T 6 O3' DT T 6 C3' -0.093
REMARK 500 DG T 7 O3' DG T 7 C3' -0.041
REMARK 500 DG P 3 C6 DG P 3 N1 -0.043
REMARK 500 DT P 5 C1' DT P 5 N1 0.184
REMARK 500 DT P 5 N1 DT P 5 C2 0.071
REMARK 500 GLU A 21 CD GLU A 21 OE1 0.069
REMARK 500 GLU A 26 CD GLU A 26 OE1 0.066
REMARK 500 GLU A 58 CD GLU A 58 OE1 0.071
REMARK 500 GLU A 71 CD GLU A 71 OE1 0.075
REMARK 500 GLU A 75 CD GLU A 75 OE1 0.077
REMARK 500 GLU A 86 CD GLU A 86 OE1 0.077
REMARK 500 GLU A 117 CD GLU A 117 OE2 0.066
REMARK 500 GLU A 123 CD GLU A 123 OE1 0.067
REMARK 500 GLU A 129 CD GLU A 129 OE1 0.072
REMARK 500 GLU A 153 CD GLU A 153 OE2 0.072
REMARK 500 GLU A 154 CD GLU A 154 OE2 0.068
REMARK 500 GLU A 165 CD GLU A 165 OE2 0.077
REMARK 500 GLU A 186 CD GLU A 186 OE1 0.067
REMARK 500 GLU A 203 CD GLU A 203 OE1 0.079
REMARK 500 GLU A 249 CD GLU A 249 OE2 0.082
REMARK 500 GLU A 295 CD GLU A 295 OE1 0.071
REMARK 500 GLU A 309 CD GLU A 309 OE2 0.070
REMARK 500 GLU A 316 CD GLU A 316 OE2 0.067
REMARK 500 GLU A 329 CD GLU A 329 OE2 0.075
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 2 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DC T 2 C6 - N1 - C1' ANGL. DEV. = -13.3 DEGREES
REMARK 500 DC T 2 C2 - N1 - C1' ANGL. DEV. = 14.2 DEGREES
REMARK 500 DA T 3 O5' - C5' - C4' ANGL. DEV. = -4.9 DEGREES
REMARK 500 DT T 4 C6 - N1 - C1' ANGL. DEV. = -21.1 DEGREES
REMARK 500 DT T 4 C2 - N1 - C1' ANGL. DEV. = 20.3 DEGREES
REMARK 500 DT T 4 C3' - O3' - P ANGL. DEV. = 9.4 DEGREES
REMARK 500 DC T 5 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DC T 5 C6 - N1 - C1' ANGL. DEV. = -10.8 DEGREES
REMARK 500 DC T 5 C2 - N1 - C1' ANGL. DEV. = 10.4 DEGREES
REMARK 500 DC T 5 C3' - O3' - P ANGL. DEV. = 9.3 DEGREES
REMARK 500 DT T 6 O4' - C4' - C3' ANGL. DEV. = -2.4 DEGREES
REMARK 500 DT T 6 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES
REMARK 500 DT T 6 C6 - N1 - C1' ANGL. DEV. = -9.1 DEGREES
REMARK 500 DG T 7 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DC P 1 C6 - N1 - C1' ANGL. DEV. = -10.9 DEGREES
REMARK 500 DC P 1 C2 - N1 - C1' ANGL. DEV. = 10.1 DEGREES
REMARK 500 DC P 1 C3' - O3' - P ANGL. DEV. = 8.9 DEGREES
REMARK 500 DA P 2 O4' - C4' - C3' ANGL. DEV. = -4.0 DEGREES
REMARK 500 DA P 2 C4' - C3' - C2' ANGL. DEV. = -8.3 DEGREES
REMARK 500 DG P 3 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 DA P 4 O4' - C1' - N9 ANGL. DEV. = -6.1 DEGREES
REMARK 500 DT P 5 N3 - C2 - O2 ANGL. DEV. = -5.3 DEGREES
REMARK 500 DT P 5 C6 - N1 - C1' ANGL. DEV. = -23.0 DEGREES
REMARK 500 DT P 5 C2 - N1 - C1' ANGL. DEV. = 25.9 DEGREES
REMARK 500 HIS A 34 CA - CB - CG ANGL. DEV. = -10.2 DEGREES
REMARK 500 PRO A 50 C - N - CA ANGL. DEV. = 16.8 DEGREES
REMARK 500 PRO A 50 C - N - CD ANGL. DEV. = -21.9 DEGREES
REMARK 500 ASP A 74 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 ASP A 74 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 ARG A 83 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 ASP A 91 CB - CG - OD1 ANGL. DEV. = -6.4 DEGREES
REMARK 500 ASP A 92 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 ASP A 116 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 ASP A 124 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 ARG A 152 N - CA - CB ANGL. DEV. = 11.3 DEGREES
REMARK 500 ASP A 170 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 ASP A 170 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 CYS A 178 CB - CA - C ANGL. DEV. = 12.6 DEGREES
REMARK 500 CYS A 178 CA - CB - SG ANGL. DEV. = -12.6 DEGREES
REMARK 500 ARG A 182 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 ARG A 183 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 ASP A 190 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 ASP A 192 CB - CA - C ANGL. DEV. = -18.9 DEGREES
REMARK 500 ASP A 192 N - CA - CB ANGL. DEV. = 21.8 DEGREES
REMARK 500 ASP A 192 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 ASP A 192 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES
REMARK 500 SER A 229 N - CA - CB ANGL. DEV. = 9.1 DEGREES
REMARK 500 PRO A 242 C - N - CD ANGL. DEV. = -15.5 DEGREES
REMARK 500 ARG A 253 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 58 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 -1.37 -179.47
REMARK 500 ALA A 32 48.49 -46.43
REMARK 500 GLN A 90 -70.70 -92.85
REMARK 500 ASP A 91 115.89 -22.38
REMARK 500 CYS A 178 -155.27 -79.76
REMARK 500 ALA A 185 119.62 10.17
REMARK 500 SER A 199 30.94 -79.91
REMARK 500 SER A 202 -60.78 -13.63
REMARK 500 SER A 204 115.43 -26.13
REMARK 500 LYS A 206 163.79 31.40
REMARK 500 GLN A 207 79.64 -179.40
REMARK 500 HIS A 222 23.14 81.10
REMARK 500 THR A 233 -7.50 -140.98
REMARK 500 LYS A 244 -107.55 -45.57
REMARK 500 ASP A 246 104.60 -5.03
REMARK 500 GLU A 247 -29.90 172.29
REMARK 500 ASP A 263 28.99 -77.07
REMARK 500 GLN A 264 28.07 -169.24
REMARK 500 LYS A 289 2.28 -46.81
REMARK 500 ALA A 307 159.10 168.27
REMARK 500 GLU A 309 101.13 112.85
REMARK 500 PRO A 310 105.92 -48.35
REMARK 500 GLN A 324 84.45 46.72
REMARK 500 SER A 334 -81.92 -48.27
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 NA A 341 NA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG P 6 OP1
REMARK 620 2 THR A 101 O 165.8
REMARK 620 3 VAL A 103 O 95.6 91.3
REMARK 620 4 ILE A 106 O 101.6 90.2 95.4
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 341
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 342
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: 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: 8ICT 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 7ICV A 2 335 UNP P06746 DPOB_HUMAN 1 334
DBREF 7ICV T 2 8 PDB 7ICV 7ICV 2 8
DBREF 7ICV P 1 6 PDB 7ICV 7ICV 1 6
SEQRES 1 T 7 DC DA DT DC DT DG DT
SEQRES 1 P 6 DC DA DG 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 NA A 341 1
HET NA A 342 1
HETNAM NA SODIUM ION
FORMUL 4 NA 2(NA 1+)
FORMUL 6 HOH *151(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 DG P 6 NA NA A 341 1555 1555 2.47
LINK O LEU A 62 NA NA A 342 3547 1555 1.89
LINK O THR A 101 NA NA A 341 1555 1555 2.37
LINK O VAL A 103 NA NA A 341 1555 1555 2.29
LINK O ILE A 106 NA NA A 341 1555 1555 2.13
CISPEP 1 GLY A 274 SER A 275 0 -0.01
SITE 1 AC1 4 THR A 101 VAL A 103 ILE A 106 DG P 6
SITE 1 AC2 5 LYS A 60 LEU A 62 PRO A 63 VAL A 65
SITE 2 AC2 5 DG P 3
CRYST1 178.418 57.704 48.482 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 0.005605 0.000000 0.000000 0.00000
SCALE2 0.000000 0.017330 0.000000 0.00000
SCALE3 0.000000 0.000000 0.020626 0.00000
(ATOM LINES ARE NOT SHOWN.)
END