Header list of 1v5n.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-NOV-03 1V5N
TITLE SOLUTION STRUCTURE OF DC1 DOMAIN OF PDI-LIKE HYPOTHETICAL PROTEIN FROM
TITLE 2 ARABIDOPSIS THALIANA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PDI-LIKE HYPOTHETICAL PROTEIN AT1G60420;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DC1 DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;
SOURCE 3 ORGANISM_COMMON: THALE CRESS;
SOURCE 4 ORGANISM_TAXID: 3702;
SOURCE 5 GENE: RIKEN CDNA RAFL09-40-E23;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030421-05;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS DC1 DOMAIN, ZINC BINDING DOMAIN, PDI-LIKE PROTEIN, STRUCTURAL
KEYWDS 2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,
KEYWDS 3 UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.MIYAMOTO,T.TOMIZAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1V5N 1 REMARK SEQADV LINK
REVDAT 2 24-FEB-09 1V5N 1 VERSN
REVDAT 1 25-MAY-04 1V5N 0
JRNL AUTH K.MIYAMOTO,T.TOMIZAWA,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF DC1 DOMAIN OF PDI-LIKE HYPOTHETICAL
JRNL TITL 2 PROTEIN FROM ARABIDOPSIS THALIANA
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1V5N COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000006236.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.05MM DC1 DOMAIN U-13C,15N;
REMARK 210 20MM D-TRIS-HCL(PH 7.0); 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3;
REMARK 210 0.1MM ZNCL2; 90% H2O, 10% D20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.863, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY, TARGET
REMARK 210 FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
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: 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 GLU A 36 -39.37 -37.59
REMARK 500 1 LEU A 42 102.06 -36.64
REMARK 500 1 ASP A 51 33.62 -93.57
REMARK 500 1 LYS A 52 -59.12 -127.70
REMARK 500 1 ILE A 59 25.05 48.76
REMARK 500 1 TRP A 60 129.50 -177.89
REMARK 500 1 SER A 61 122.83 -170.88
REMARK 500 1 ASP A 65 33.23 -79.45
REMARK 500 1 GLU A 66 -37.73 -134.79
REMARK 500 1 ASP A 68 46.24 74.98
REMARK 500 1 GLU A 83 -61.12 -133.74
REMARK 500 2 LEU A 12 40.79 -109.63
REMARK 500 2 LEU A 40 171.95 -51.80
REMARK 500 2 LEU A 42 100.61 -34.40
REMARK 500 2 LYS A 52 -57.69 -127.02
REMARK 500 2 TRP A 60 132.68 -179.74
REMARK 500 2 SER A 61 119.90 -177.71
REMARK 500 2 ASP A 65 37.61 -79.17
REMARK 500 2 GLU A 66 -36.67 -135.05
REMARK 500 2 ASP A 80 42.44 -109.36
REMARK 500 2 PRO A 86 3.01 -69.73
REMARK 500 3 GLU A 10 -65.22 -98.27
REMARK 500 3 LEU A 12 101.52 -41.08
REMARK 500 3 LYS A 13 -67.78 -95.10
REMARK 500 3 LYS A 31 76.42 -108.04
REMARK 500 3 GLU A 36 -32.67 -37.76
REMARK 500 3 LEU A 42 99.59 -48.24
REMARK 500 3 ASP A 51 32.44 -95.97
REMARK 500 3 TRP A 60 134.22 179.86
REMARK 500 3 SER A 61 116.17 -177.15
REMARK 500 3 TYR A 62 99.73 -65.30
REMARK 500 3 ASP A 65 35.59 -76.81
REMARK 500 3 GLU A 66 -35.99 -135.06
REMARK 500 3 SER A 87 42.51 33.72
REMARK 500 4 GLU A 36 -36.28 -34.99
REMARK 500 4 LEU A 40 171.60 -52.55
REMARK 500 4 LEU A 42 97.76 -35.42
REMARK 500 4 LYS A 52 -53.67 -125.91
REMARK 500 4 TRP A 60 136.73 -178.50
REMARK 500 4 SER A 61 119.58 -177.26
REMARK 500 4 ASP A 65 23.88 -75.19
REMARK 500 4 ASP A 68 54.99 35.43
REMARK 500 4 ASP A 80 105.02 -39.26
REMARK 500 4 PRO A 86 86.96 -69.78
REMARK 500 5 GLU A 10 -62.84 -120.05
REMARK 500 5 LYS A 13 -60.27 -95.79
REMARK 500 5 GLU A 36 -38.03 -36.07
REMARK 500 5 LEU A 42 98.37 -35.20
REMARK 500 5 TRP A 60 130.74 -179.23
REMARK 500 5 SER A 61 111.53 -172.40
REMARK 500
REMARK 500 THIS ENTRY HAS 217 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 401 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS A 35 NE2
REMARK 620 2 HIS A 38 ND1 108.8
REMARK 620 3 CYS A 64 SG 118.0 131.5
REMARK 620 4 CYS A 67 SG 77.0 84.3 117.3
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 201 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 50 SG
REMARK 620 2 CYS A 53 SG 114.9
REMARK 620 3 HIS A 72 ND1 86.9 105.6
REMARK 620 4 CYS A 75 SG 120.5 107.6 119.6
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 201
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 401
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: ATR001005336.1 RELATED DB: TARGETDB
DBREF 1V5N A 8 83 GB 17529294 AAL38874 476 551
SEQADV 1V5N GLY A 1 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 2 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 3 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N GLY A 4 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 5 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 6 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N GLY A 7 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 84 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N GLY A 85 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N PRO A 86 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 87 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N SER A 88 GB 17529294 CLONING ARTIFACT
SEQADV 1V5N GLY A 89 GB 17529294 CLONING ARTIFACT
SEQRES 1 A 89 GLY SER SER GLY SER SER GLY THR GLU GLU ARG LEU LYS
SEQRES 2 A 89 GLU ILE GLU ALA LYS TYR ASP GLU ILE ALA LYS ASP TRP
SEQRES 3 A 89 PRO LYS LYS VAL LYS HIS VAL LEU HIS GLU GLU HIS GLU
SEQRES 4 A 89 LEU GLU LEU THR ARG VAL GLN VAL TYR THR CYS ASP LYS
SEQRES 5 A 89 CYS GLU GLU GLU GLY THR ILE TRP SER TYR HIS CYS ASP
SEQRES 6 A 89 GLU CYS ASP PHE ASP LEU HIS ALA LYS CYS ALA LEU ASN
SEQRES 7 A 89 GLU ASP THR LYS GLU SER GLY PRO SER SER GLY
HET ZN A 201 1
HET ZN A 401 1
HETNAM ZN ZINC ION
FORMUL 2 ZN 2(ZN 2+)
HELIX 1 1 LYS A 13 ALA A 23 1 11
HELIX 2 2 ALA A 73 LEU A 77 1 5
HELIX 3 1 VAL A 33 HIS A 35 1 3
SHEET 1 A 4 LYS A 29 VAL A 30 0
SHEET 2 A 4 LEU A 40 THR A 43 -1 O LEU A 40 N VAL A 30
SHEET 3 A 4 SER A 61 CYS A 64 -1 O SER A 61 N THR A 43
SHEET 4 A 4 PHE A 69 LEU A 71 0
LINK NE2 HIS A 35 ZN ZN A 401 1555 1555 2.33
LINK ND1 HIS A 38 ZN ZN A 401 1555 1555 2.38
LINK SG CYS A 50 ZN ZN A 201 1555 1555 2.37
LINK SG CYS A 53 ZN ZN A 201 1555 1555 2.31
LINK SG CYS A 64 ZN ZN A 401 1555 1555 2.32
LINK SG CYS A 67 ZN ZN A 401 1555 1555 2.37
LINK ND1 HIS A 72 ZN ZN A 201 1555 1555 2.38
LINK SG CYS A 75 ZN ZN A 201 1555 1555 2.27
SITE 1 AC1 4 CYS A 50 CYS A 53 HIS A 72 CYS A 75
SITE 1 AC2 4 HIS A 35 HIS A 38 CYS A 64 CYS A 67
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 - r 2 2 Bytes