Header list of 2d93.pdb file
Complete list - r 9 2 Bytes
HEADER SIGNALING PROTEIN 08-DEC-05 2D93
TITLE SOLUTION STRUCTURE OF THE CNMP_BINDING DOMAIN OF HUMAN RAP GUANINE
TITLE 2 NUCLEOTIDE EXCHANGE FACTOR 6
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RAP GUANINE NUCLEOTIDE EXCHANGE FACTOR 6;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CNMP_BINDING DOMAIN;
COMPND 5 SYNONYM: PDZ DOMAIN CONTAINING GUANINE NUCLEOTIDE EXCHANGE FACTOR 2,
COMPND 6 PDZ-GEF2, RA-GEF-2;
COMPND 7 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: KAZUSA CDNA HA02566;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050404-16;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS CNMP_BINDING DOMAIN, RAP GUANINE NUCLEOTIDE EXCHANGE FACTOR 6, PDZ
KEYWDS 2 DOMAIN CONTAINING GUANINE NUCLEOTIDE EXCHANGE FACTOR 2, PDZ-GEF2,
KEYWDS 3 RA-GEF-2, RAPGEF6, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON
KEYWDS 4 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 5 GENOMICS/PROTEOMICS INITIATIVE, RSGI, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.INOUE,Y.MUTO,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2D93 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2D93 1 VERSN
REVDAT 1 08-JUN-06 2D93 0
JRNL AUTH K.INOUE,Y.MUTO,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE CNMP_BINDING DOMAIN OF HUMAN RAP
JRNL TITL 2 GUANINE NUCLEOTIDE EXCHANGE FACTOR 6
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CYANA 2.0.17
REMARK 3 AUTHORS : GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2D93 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-DEC-05.
REMARK 100 THE DEPOSITION ID IS D_1000025140.
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 : 1.06MM U-15N, 13C-LABELED
REMARK 210 PROTEIN; 20MM D-TRIS-HCL; 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 D2O
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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.93191, 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, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
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 ALA A 47 -178.59 -50.05
REMARK 500 1 GLU A 57 95.59 -63.34
REMARK 500 1 MET A 83 120.49 -35.32
REMARK 500 1 PRO A 91 2.92 -69.83
REMARK 500 1 ILE A 122 -63.82 -103.37
REMARK 500 1 HIS A 125 65.99 -111.49
REMARK 500 2 GLU A 57 104.98 -56.73
REMARK 500 2 MET A 83 119.69 -39.30
REMARK 500 2 PRO A 91 2.81 -69.72
REMARK 500 2 ASP A 94 171.08 -52.70
REMARK 500 2 ILE A 122 -71.63 -96.56
REMARK 500 2 PRO A 131 88.80 -69.76
REMARK 500 3 ASP A 8 -54.96 -131.25
REMARK 500 3 ASP A 9 43.18 -99.06
REMARK 500 3 GLU A 57 92.63 -54.05
REMARK 500 3 MET A 83 118.62 -37.68
REMARK 500 3 ASN A 85 -179.39 -61.41
REMARK 500 3 PRO A 91 2.65 -69.74
REMARK 500 3 ILE A 122 -54.49 -122.68
REMARK 500 3 GLU A 127 140.82 -34.90
REMARK 500 3 SER A 129 99.21 -38.99
REMARK 500 4 ARG A 32 -72.30 -48.16
REMARK 500 4 GLU A 57 101.12 -53.59
REMARK 500 4 PRO A 91 2.97 -69.75
REMARK 500 4 MET A 98 104.30 -49.31
REMARK 500 4 HIS A 99 40.91 -82.35
REMARK 500 4 HIS A 125 56.02 -110.59
REMARK 500 5 ASP A 8 -50.74 -127.88
REMARK 500 5 ASP A 9 74.17 -114.02
REMARK 500 5 ARG A 32 -72.91 -48.60
REMARK 500 5 ASP A 54 106.59 -59.00
REMARK 500 5 GLU A 57 95.56 -44.46
REMARK 500 5 PRO A 91 2.77 -69.77
REMARK 500 5 LEU A 93 -31.86 -36.97
REMARK 500 5 HIS A 99 46.37 -95.83
REMARK 500 6 GLU A 57 100.72 -53.74
REMARK 500 6 PRO A 91 2.40 -69.76
REMARK 500 6 HIS A 99 40.95 -95.82
REMARK 500 6 ASN A 124 -175.89 -54.34
REMARK 500 6 GLU A 127 71.57 -69.86
REMARK 500 6 SER A 129 -179.31 -173.24
REMARK 500 6 PRO A 131 87.09 -69.78
REMARK 500 7 SER A 3 92.75 -67.98
REMARK 500 7 GLU A 16 -37.96 -36.09
REMARK 500 7 GLU A 57 109.39 -38.49
REMARK 500 7 MET A 83 120.08 -35.03
REMARK 500 7 ASN A 85 179.38 -52.49
REMARK 500 7 PRO A 91 2.99 -69.75
REMARK 500 7 LEU A 93 -30.80 -36.42
REMARK 500 7 HIS A 125 40.73 -109.28
REMARK 500
REMARK 500 THIS ENTRY HAS 154 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK003000463.1 RELATED DB: TARGETDB
DBREF 2D93 A 8 128 UNP Q8TEU7 RPGF6_HUMAN 265 385
SEQADV 2D93 GLY A 1 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 2 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 3 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 GLY A 4 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 5 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 6 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 GLY A 7 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 129 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 GLY A 130 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 PRO A 131 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 132 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 SER A 133 UNP Q8TEU7 CLONING ARTIFACT
SEQADV 2D93 GLY A 134 UNP Q8TEU7 CLONING ARTIFACT
SEQRES 1 A 134 GLY SER SER GLY SER SER GLY ASP ASP ASP ILE GLU GLN
SEQRES 2 A 134 LEU LEU GLU PHE MET HIS GLN LEU PRO ALA PHE ALA ASN
SEQRES 3 A 134 MET THR MET SER VAL ARG ARG GLU LEU CYS SER VAL MET
SEQRES 4 A 134 ILE PHE GLU VAL VAL GLU GLN ALA GLY ALA ILE ILE LEU
SEQRES 5 A 134 GLU ASP GLY GLN GLU LEU ASP SER TRP TYR VAL ILE LEU
SEQRES 6 A 134 ASN GLY THR VAL GLU ILE SER HIS PRO ASP GLY LYS VAL
SEQRES 7 A 134 GLU ASN LEU PHE MET GLY ASN SER PHE GLY ILE THR PRO
SEQRES 8 A 134 THR LEU ASP LYS GLN TYR MET HIS GLY ILE VAL ARG THR
SEQRES 9 A 134 LYS VAL ASP ASP CYS GLN PHE VAL CYS ILE ALA GLN GLN
SEQRES 10 A 134 ASP TYR TRP ARG ILE LEU ASN HIS VAL GLU LYS SER GLY
SEQRES 11 A 134 PRO SER SER GLY
HELIX 1 1 ASP A 9 LEU A 21 1 13
HELIX 2 2 THR A 28 CYS A 36 1 9
HELIX 3 3 GLN A 116 LEU A 123 1 8
SHEET 1 A 4 MET A 39 VAL A 44 0
SHEET 2 A 4 CYS A 109 ALA A 115 -1 O CYS A 113 N ILE A 40
SHEET 3 A 4 SER A 60 VAL A 63 -1 N TRP A 61 O ILE A 114
SHEET 4 A 4 SER A 86 PHE A 87 -1 O PHE A 87 N TYR A 62
SHEET 1 B 4 ILE A 50 LEU A 52 0
SHEET 2 B 4 ILE A 101 THR A 104 -1 O VAL A 102 N LEU A 52
SHEET 3 B 4 VAL A 69 SER A 72 -1 N GLU A 70 O ARG A 103
SHEET 4 B 4 VAL A 78 LEU A 81 -1 O GLU A 79 N ILE A 71
SHEET 1 C 2 GLU A 57 LEU A 58 0
SHEET 2 C 2 GLN A 96 TYR A 97 -1 O GLN A 96 N LEU A 58
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