Header list of 1jaj.pdb file
Complete list - b 5 2 Bytes
HEADER VIRAL PROTEIN 30-MAY-01 1JAJ
TITLE SOLUTION STRUCTURE OF DNA POLYMERASE X FROM THE AFRICAN SWINE FEVER
TITLE 2 VIRUS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA POLYMERASE BETA-LIKE PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: AFRICAN SWINE FEVER VIRUS;
SOURCE 3 ORGANISM_TAXID: 10498;
SOURCE 4 STRAIN: BA71V;
SOURCE 5 GENE: O174L;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET23A
KEYWDS CIS PEPTIDE, VIRAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR M.W.MACIEJEWSKI,R.SHIN,B.PAN,G.P.MULLEN
REVDAT 5 05-FEB-20 1JAJ 1 REMARK ATOM
REVDAT 4 13-JUL-11 1JAJ 1 VERSN
REVDAT 3 24-FEB-09 1JAJ 1 VERSN
REVDAT 2 07-NOV-01 1JAJ 1 AUTHOR
REVDAT 1 31-OCT-01 1JAJ 0
JRNL AUTH M.W.MACIEJEWSKI,R.SHIN,B.PAN,A.MARINTCHEV,A.DENNINGER
JRNL TITL SOLUTION STRUCTURE OF A VIRAL DNA REPAIR POLYMERASE.
JRNL REF NAT.STRUCT.BIOL. V. 8 936 2001
JRNL REFN ISSN 1072-8368
JRNL PMID 11685238
JRNL DOI 10.1038/NSB1101-936
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.W.MACIEJEWSKI,B.PAN,R.SHIN,A.DENNINGER,G.P.MULLEN
REMARK 1 TITL 1H, 15N, AND 13C RESONANCE ASSIGNMENTS FOR A 20 KDA DNA
REMARK 1 TITL 2 POLYMERASE FROM AFRICAN SWINE FEVER VIRUS
REMARK 1 REF J.BIOMOL.NMR V. 21 177 2001
REMARK 1 REFN ISSN 0925-2738
REMARK 1 DOI 10.1023/A:1012426928104
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1B, X-PLOR 3.851
REMARK 3 AUTHORS : VARIAN, INC. (VNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 200 RANDOM STRUCUTRES WERE CALCULATED WITHIN DYANA. THE 50 WITH
REMARK 3 THE LOWEST TARGET FUNCTION WERE
REMARK 3 REFINED IN XPLOR WITH ENERGY MINIMIZATION AND THE 25 WITH THE
REMARK 3 LOWEST ENERGY IN XPLOR WERE SELECTED
REMARK 3 FOR DEPOSITION.
REMARK 4
REMARK 4 1JAJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-MAY-01.
REMARK 100 THE DEPOSITION ID IS D_1000013559.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 298; 298; 298
REMARK 210 PH : 6.5; 6.5; 6.5; 6.5
REMARK 210 IONIC STRENGTH : 500 MM; 500 MM; 500 MM; 500 MM
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT;
REMARK 210 AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.0 MM DNA POLYMERASE X U
REMARK 210 -15N,13C; 500 MM NACL; 20 MM
REMARK 210 PIPES (PH 6.5); 10 MM DTT; 0.5
REMARK 210 MM AEBSF; 0.02% SODIUM AZIDE;
REMARK 210 1.0 MM DNA POLYMERASE X U-15N,
REMARK 210 13C; 500 MM NACL; 20 MM PIPES
REMARK 210 (PH 6.5); 10 MM DTT; 0.5 MM
REMARK 210 AEBSF; 0.02% SODIUM AZIDE; 1.0
REMARK 210 MM DNA POLYMERASE X U-15N; 500
REMARK 210 MM NACL; 20 MM PIPES (PH 6.5);
REMARK 210 10 MM DTT; 0.5 MM AEBSF; 0.02%
REMARK 210 SODIUM AZIDE; 1.0 MM DNA
REMARK 210 POLYMERASE X; 500 MM NACL; 20 MM
REMARK 210 PIPES (PH 6.5); 10 MM DTT; 0.5
REMARK 210 MM AEBSF; 0.02% SODIUM AZIDE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 1.8, XEASY 1.13, DYANA
REMARK 210 1.5
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS ENERGY
REMARK 210 MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: TALOS WAS USED IN CONJUNCTION WITH BACKBONE RESONANCE
REMARK 210 ASSIGNMENTS TO GENERATE ANGLE CONSTRAINTS.
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 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: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
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
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 1 ARG A 17 31.75 -98.08
REMARK 500 1 GLU A 43 66.04 60.44
REMARK 500 1 GLU A 58 132.60 -177.36
REMARK 500 1 ASN A 68 54.19 -114.24
REMARK 500 1 PHE A 76 165.96 179.14
REMARK 500 1 GLU A 83 75.69 63.49
REMARK 500 1 ARG A 84 35.86 33.80
REMARK 500 1 PRO A 119 -175.98 -62.52
REMARK 500 1 LYS A 172 32.79 -90.01
REMARK 500 1 ARG A 173 129.72 -33.77
REMARK 500 2 GLU A 43 65.32 61.63
REMARK 500 2 ASN A 48 -48.65 -139.52
REMARK 500 2 GLU A 58 128.10 -177.09
REMARK 500 2 PRO A 67 -72.60 -69.13
REMARK 500 2 ASN A 68 55.73 -106.82
REMARK 500 2 PHE A 76 157.97 178.94
REMARK 500 2 GLU A 83 72.92 66.30
REMARK 500 2 ARG A 84 32.93 39.51
REMARK 500 2 GLU A 93 63.42 64.31
REMARK 500 2 PRO A 119 -172.73 -62.45
REMARK 500 2 LYS A 172 31.17 -93.71
REMARK 500 3 ARG A 17 33.10 -94.67
REMARK 500 3 GLU A 43 65.70 61.75
REMARK 500 3 PRO A 67 -77.00 -70.24
REMARK 500 3 ASN A 68 56.12 -105.92
REMARK 500 3 GLU A 83 72.29 66.99
REMARK 500 3 ARG A 84 33.22 38.92
REMARK 500 3 GLU A 93 63.50 63.14
REMARK 500 3 PRO A 119 -162.51 -76.73
REMARK 500 3 LYS A 171 31.64 -97.73
REMARK 500 3 LYS A 172 31.33 -97.46
REMARK 500 3 ARG A 173 99.64 -39.68
REMARK 500 4 ARG A 17 31.64 -93.53
REMARK 500 4 GLU A 58 129.97 -175.75
REMARK 500 4 PRO A 67 -75.51 -73.02
REMARK 500 4 ASN A 68 57.81 -107.09
REMARK 500 4 PHE A 76 165.04 179.95
REMARK 500 4 GLU A 83 73.84 65.75
REMARK 500 4 ARG A 84 34.73 36.60
REMARK 500 4 GLU A 93 63.52 63.59
REMARK 500 4 PRO A 119 -161.67 -76.78
REMARK 500 4 LEU A 151 98.03 -69.20
REMARK 500 4 LYS A 172 31.21 -95.25
REMARK 500 4 ARG A 173 98.94 -42.80
REMARK 500 5 GLU A 43 65.96 61.00
REMARK 500 5 ASN A 48 -77.39 -95.19
REMARK 500 5 GLU A 58 131.05 -177.31
REMARK 500 5 PRO A 67 -72.98 -68.38
REMARK 500 5 ASN A 68 55.85 -110.63
REMARK 500 5 GLU A 83 67.96 68.87
REMARK 500
REMARK 500 THIS ENTRY HAS 260 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5010 RELATED DB: BMRB
REMARK 900 BMRB RELEASE 5010 CONTAINS THE COMPLETE 1H, 15N, AND 13C RESONANCE
REMARK 900 ASSIGNMENTS FOR AFRICAN SWINE FEVER VIRUS POLYMERASE X
DBREF 1JAJ A 1 174 UNP P42494 O174_ASFB7 1 174
SEQRES 1 A 174 MET LEU THR LEU ILE GLN GLY LYS LYS ILE VAL ASN HIS
SEQRES 2 A 174 LEU ARG SER ARG LEU ALA PHE GLU TYR ASN GLY GLN LEU
SEQRES 3 A 174 ILE LYS ILE LEU SER LYS ASN ILE VAL ALA VAL GLY SER
SEQRES 4 A 174 LEU ARG ARG GLU GLU LYS MET LEU ASN ASP VAL ASP LEU
SEQRES 5 A 174 LEU ILE ILE VAL PRO GLU LYS LYS LEU LEU LYS HIS VAL
SEQRES 6 A 174 LEU PRO ASN ILE ARG ILE LYS GLY LEU SER PHE SER VAL
SEQRES 7 A 174 LYS VAL CYS GLY GLU ARG LYS CYS VAL LEU PHE ILE GLU
SEQRES 8 A 174 TRP GLU LYS LYS THR TYR GLN LEU ASP LEU PHE THR ALA
SEQRES 9 A 174 LEU ALA GLU GLU LYS PRO TYR ALA ILE PHE HIS PHE THR
SEQRES 10 A 174 GLY PRO VAL SER TYR LEU ILE ARG ILE ARG ALA ALA LEU
SEQRES 11 A 174 LYS LYS LYS ASN TYR LYS LEU ASN GLN TYR GLY LEU PHE
SEQRES 12 A 174 LYS ASN GLN THR LEU VAL PRO LEU LYS ILE THR THR GLU
SEQRES 13 A 174 LYS GLU LEU ILE LYS GLU LEU GLY PHE THR TYR ARG ILE
SEQRES 14 A 174 PRO LYS LYS ARG LEU
HELIX 1 1 LEU A 4 ARG A 17 1 14
HELIX 2 2 SER A 39 GLU A 43 1 5
HELIX 3 3 GLU A 58 HIS A 64 1 7
HELIX 4 4 GLU A 108 GLY A 118 1 11
HELIX 5 5 PRO A 119 LYS A 133 1 15
HELIX 6 6 THR A 155 GLY A 164 1 10
HELIX 7 7 ILE A 169 ARG A 173 5 5
SHEET 1 A 2 LEU A 2 THR A 3 0
SHEET 2 A 2 MET A 46 LEU A 47 -1 N LEU A 47 O LEU A 2
SHEET 1 B 3 GLN A 25 ILE A 29 0
SHEET 2 B 3 LEU A 18 TYR A 22 -1 O LEU A 18 N ILE A 29
SHEET 3 B 3 ASN A 68 ILE A 71 -1 N ASN A 68 O GLU A 21
SHEET 1 C 5 ILE A 34 GLY A 38 0
SHEET 2 C 5 VAL A 50 VAL A 56 -1 O ASP A 51 N VAL A 37
SHEET 3 C 5 TYR A 97 LEU A 105 1 O GLN A 98 N VAL A 50
SHEET 4 C 5 LYS A 85 GLU A 91 -1 O CYS A 86 N LEU A 101
SHEET 5 C 5 SER A 75 CYS A 81 -1 O SER A 75 N GLU A 91
SHEET 1 D 3 TYR A 135 ASN A 138 0
SHEET 2 D 3 GLY A 141 LYS A 144 -1 O GLY A 141 N ASN A 138
SHEET 3 D 3 THR A 147 VAL A 149 -1 O THR A 147 N LYS A 144
CISPEP 1 GLY A 118 PRO A 119 1 -0.07
CISPEP 2 GLY A 118 PRO A 119 2 -0.30
CISPEP 3 GLY A 118 PRO A 119 3 -0.06
CISPEP 4 GLY A 118 PRO A 119 4 -0.20
CISPEP 5 GLY A 118 PRO A 119 5 -0.05
CISPEP 6 GLY A 118 PRO A 119 6 -0.14
CISPEP 7 GLY A 118 PRO A 119 7 0.12
CISPEP 8 GLY A 118 PRO A 119 8 -0.02
CISPEP 9 GLY A 118 PRO A 119 9 -0.12
CISPEP 10 GLY A 118 PRO A 119 10 0.09
CISPEP 11 GLY A 118 PRO A 119 11 0.02
CISPEP 12 GLY A 118 PRO A 119 12 -0.37
CISPEP 13 GLY A 118 PRO A 119 13 -0.18
CISPEP 14 GLY A 118 PRO A 119 14 -0.17
CISPEP 15 GLY A 118 PRO A 119 15 -0.23
CISPEP 16 GLY A 118 PRO A 119 16 -0.06
CISPEP 17 GLY A 118 PRO A 119 17 -0.05
CISPEP 18 GLY A 118 PRO A 119 18 -0.27
CISPEP 19 GLY A 118 PRO A 119 19 -0.18
CISPEP 20 GLY A 118 PRO A 119 20 -0.24
CISPEP 21 GLY A 118 PRO A 119 21 0.05
CISPEP 22 GLY A 118 PRO A 119 22 -0.04
CISPEP 23 GLY A 118 PRO A 119 23 -0.21
CISPEP 24 GLY A 118 PRO A 119 24 0.01
CISPEP 25 GLY A 118 PRO A 119 25 -0.11
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - b 5 2 Bytes