Header list of 2crl.pdb file
Complete list - r 9 2 Bytes
HEADER CHAPERONE 20-MAY-05 2CRL
TITLE THE APO FORM OF HMA DOMAIN OF COPPER CHAPERONE FOR SUPEROXIDE
TITLE 2 DISMUTASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HMA DOMAIN;
COMPND 5 SYNONYM: SUPEROXIDE DISMUTASE COPPER CHAPERONE;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: CCS;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050111-23;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS SOD1, FAMILIAL ALS, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON
KEYWDS 2 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, CHAPERONE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CRL 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CRL 1 VERSN
REVDAT 1 20-NOV-05 2CRL 0
JRNL AUTH T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA
JRNL TITL THE APO FORM OF HMA DOMAIN OF COPPER CHAPERONE FOR
JRNL TITL 2 SUPEROXIDE DISMUTASE
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 2.0.17
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CRL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024546.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.40MM HMA DOMAIN U-13C,15N;
REMARK 210 20MM TRISHCL, 100MM NACL, 1MM
REMARK 210 DTT, 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.901, 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 : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY
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 THR A 28 -59.35 -129.56
REMARK 500 1 ALA A 44 124.83 -34.31
REMARK 500 1 GLN A 56 36.63 38.98
REMARK 500 2 SER A 2 139.53 -170.31
REMARK 500 2 SER A 5 89.35 -66.31
REMARK 500 2 THR A 17 99.48 -45.00
REMARK 500 2 ALA A 44 117.02 -34.88
REMARK 500 2 GLN A 56 39.40 37.72
REMARK 500 3 SER A 2 41.90 39.12
REMARK 500 3 MET A 8 146.54 -174.89
REMARK 500 3 GLN A 15 40.00 -82.75
REMARK 500 3 THR A 28 -39.66 -132.23
REMARK 500 3 ALA A 44 109.17 -34.75
REMARK 500 3 SER A 66 -32.09 -39.96
REMARK 500 3 MET A 85 104.08 -34.34
REMARK 500 3 PRO A 95 -179.82 -69.74
REMARK 500 4 ALA A 9 107.48 -35.72
REMARK 500 4 ALA A 44 135.37 -38.66
REMARK 500 4 GLN A 56 38.10 35.77
REMARK 500 4 SER A 66 -30.87 -35.94
REMARK 500 4 PRO A 95 2.29 -69.82
REMARK 500 4 SER A 97 94.51 -57.10
REMARK 500 5 ASN A 14 40.64 -90.60
REMARK 500 5 ALA A 44 117.38 -33.93
REMARK 500 5 GLN A 56 35.80 34.80
REMARK 500 5 LEU A 90 148.66 -34.67
REMARK 500 5 SER A 97 -56.87 -123.59
REMARK 500 6 MET A 8 103.64 -51.05
REMARK 500 6 THR A 28 -62.53 -122.85
REMARK 500 6 VAL A 36 -38.42 -39.70
REMARK 500 6 ALA A 44 145.47 -37.47
REMARK 500 6 GLN A 56 43.95 34.38
REMARK 500 6 GLN A 91 125.90 -171.21
REMARK 500 7 ASN A 14 -54.22 -120.56
REMARK 500 7 GLN A 15 37.51 39.77
REMARK 500 7 ALA A 44 141.09 -37.67
REMARK 500 7 GLN A 56 38.85 39.70
REMARK 500 7 MET A 85 31.13 35.66
REMARK 500 8 GLN A 15 43.59 -108.97
REMARK 500 8 THR A 28 -57.33 -124.60
REMARK 500 8 SER A 97 42.89 37.10
REMARK 500 9 SER A 3 -51.15 -132.64
REMARK 500 9 SER A 6 117.29 -164.73
REMARK 500 9 MET A 8 113.07 -161.71
REMARK 500 9 ASN A 14 42.15 -103.28
REMARK 500 9 SER A 31 -70.03 -34.43
REMARK 500 9 ALA A 44 108.58 -42.33
REMARK 500 9 GLN A 56 44.94 37.12
REMARK 500 9 PRO A 95 -178.36 -69.76
REMARK 500 10 SER A 31 -70.29 -32.71
REMARK 500
REMARK 500 THIS ENTRY HAS 99 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO002000359.1 RELATED DB: TARGETDB
DBREF 2CRL A 8 92 UNP O14618 CCS_HUMAN 1 85
SEQADV 2CRL GLY A 1 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 2 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 3 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL GLY A 4 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 5 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 6 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL GLY A 7 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 93 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL GLY A 94 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL PRO A 95 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 96 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL SER A 97 UNP O14618 CLONING ARTIFACT
SEQADV 2CRL GLY A 98 UNP O14618 CLONING ARTIFACT
SEQRES 1 A 98 GLY SER SER GLY SER SER GLY MET ALA SER ASP SER GLY
SEQRES 2 A 98 ASN GLN GLY THR LEU CYS THR LEU GLU PHE ALA VAL GLN
SEQRES 3 A 98 MET THR CYS GLN SER CYS VAL ASP ALA VAL ARG LYS SER
SEQRES 4 A 98 LEU GLN GLY VAL ALA GLY VAL GLN ASP VAL GLU VAL HIS
SEQRES 5 A 98 LEU GLU ASP GLN MET VAL LEU VAL HIS THR THR LEU PRO
SEQRES 6 A 98 SER GLN GLU VAL GLN ALA LEU LEU GLU GLY THR GLY ARG
SEQRES 7 A 98 GLN ALA VAL LEU LYS GLY MET GLY SER GLY GLN LEU GLN
SEQRES 8 A 98 ASN SER GLY PRO SER SER GLY
HELIX 1 1 CYS A 29 SER A 39 1 11
HELIX 2 2 PRO A 65 GLY A 75 1 11
SHEET 1 A 4 ASP A 48 HIS A 52 0
SHEET 2 A 4 MET A 57 THR A 62 -1 O HIS A 61 N ASP A 48
SHEET 3 A 4 CYS A 19 VAL A 25 -1 N PHE A 23 O VAL A 58
SHEET 4 A 4 ALA A 80 GLY A 84 -1 O VAL A 81 N ALA A 24
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 9 2 Bytes