Header list of 2crh.pdb file
Complete list - r 9 2 Bytes
HEADER SIGNALING PROTEIN 20-MAY-05 2CRH
TITLE SOLUTION STRUCTURE OF THE SH2 DOMAIN OF HUMAN PROTO-ONCOGENE PROTEIN
TITLE 2 VAV1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: VAV PROTO-ONCOGENE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SH2 (RESIDUES 1-138);
COMPND 5 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: VAV1, VAV;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040517-08;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS ONCOPROTEIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN
KEYWDS 2 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.ENDO,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CRH 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CRH 1 VERSN
REVDAT 1 20-NOV-05 2CRH 0
JRNL AUTH H.ENDO,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SH2 DOMAIN OF HUMAN PROTO-ONCOGENE
JRNL TITL 2 PROTEIN VAV1
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 2CRH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 30-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024543.
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 : 120 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.15MM 13C,15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL(PH7.0); 100MM
REMARK 210 NACL; 1MM D-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; 900 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9296, 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 GLU A 17 43.17 -79.04
REMARK 500 1 PRO A 20 -170.28 -69.85
REMARK 500 1 GLN A 21 131.78 -35.90
REMARK 500 1 LEU A 23 -19.53 -49.62
REMARK 500 1 PRO A 32 88.55 -69.76
REMARK 500 1 ARG A 45 177.32 -48.22
REMARK 500 1 ASP A 47 127.82 -37.44
REMARK 500 1 VAL A 56 47.32 33.67
REMARK 500 1 ALA A 59 39.88 38.51
REMARK 500 1 GLU A 61 102.05 -57.32
REMARK 500 1 GLU A 88 46.59 -77.78
REMARK 500 1 LYS A 112 -32.05 -39.88
REMARK 500 1 LEU A 118 100.36 -59.37
REMARK 500 1 GLN A 119 -72.65 -85.45
REMARK 500 1 GLU A 124 126.77 -33.68
REMARK 500 1 GLU A 126 151.23 -35.44
REMARK 500 2 SER A 6 42.04 39.85
REMARK 500 2 ALA A 11 136.85 -170.46
REMARK 500 2 PRO A 20 -172.06 -69.75
REMARK 500 2 GLN A 21 169.26 -45.77
REMARK 500 2 PRO A 32 87.68 -69.81
REMARK 500 2 ARG A 45 170.84 -46.61
REMARK 500 2 ASP A 47 126.85 -35.67
REMARK 500 2 ARG A 55 62.05 -103.39
REMARK 500 2 VAL A 56 46.05 37.17
REMARK 500 2 GLU A 61 84.79 -60.63
REMARK 500 2 PHE A 62 161.03 -39.91
REMARK 500 2 GLU A 88 43.59 -79.22
REMARK 500 2 LYS A 90 119.94 -163.01
REMARK 500 2 LEU A 118 89.57 -66.81
REMARK 500 2 GLN A 119 -72.53 -70.88
REMARK 500 2 GLU A 124 128.03 -31.65
REMARK 500 2 THR A 129 41.26 -81.42
REMARK 500 3 GLN A 13 41.33 -98.86
REMARK 500 3 GLU A 17 38.78 -82.95
REMARK 500 3 PRO A 20 -178.17 -69.75
REMARK 500 3 ALA A 30 36.16 -98.27
REMARK 500 3 ARG A 45 171.99 -52.95
REMARK 500 3 ARG A 55 46.91 -75.97
REMARK 500 3 ALA A 59 46.15 34.19
REMARK 500 3 GLU A 61 97.92 -32.85
REMARK 500 3 GLU A 88 46.46 -78.01
REMARK 500 3 GLN A 119 -72.05 -75.46
REMARK 500 3 GLU A 124 133.72 -33.00
REMARK 500 3 GLU A 126 153.85 -36.99
REMARK 500 3 THR A 129 43.14 -80.93
REMARK 500 4 SER A 5 137.44 -173.22
REMARK 500 4 PRO A 20 -172.90 -69.73
REMARK 500 4 PRO A 32 94.07 -69.74
REMARK 500 4 ARG A 45 175.30 -47.52
REMARK 500
REMARK 500 THIS ENTRY HAS 349 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSS001003872.1 RELATED DB: TARGETDB
DBREF 2CRH A 8 132 UNP P15498 VAV_HUMAN 629 775
SEQADV 2CRH GLY A 1 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 2 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 3 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH GLY A 4 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 5 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 6 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH GLY A 7 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH A UNP P15498 GLY 639 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ARG 640 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ASN 641 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 THR 642 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 SER 643 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 THR 644 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ASN 645 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 GLU 646 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ILE 647 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 GLY 648 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 TRP 649 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 PHE 650 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 PRO 651 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 CYS 652 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ASN 653 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 ARG 654 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 VAL 655 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 LYS 656 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 PRO 657 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 TYR 658 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 VAL 659 SEE REAMRK 999
SEQADV 2CRH A UNP P15498 HIS 660 SEE REAMRK 999
SEQADV 2CRH SER A 133 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH GLY A 134 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH PRO A 135 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 136 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH SER A 137 UNP P15498 CLONING ARTIFACT
SEQADV 2CRH GLY A 138 UNP P15498 CLONING ARTIFACT
SEQRES 1 A 138 GLY SER SER GLY SER SER GLY LYS ALA GLU ALA GLU GLN
SEQRES 2 A 138 ASN TRP TRP GLU GLY PRO PRO GLN ASP LEU SER VAL HIS
SEQRES 3 A 138 LEU TRP TYR ALA GLY PRO MET GLU ARG ALA GLY ALA GLU
SEQRES 4 A 138 SER ILE LEU ALA ASN ARG SER ASP GLY THR PHE LEU VAL
SEQRES 5 A 138 ARG GLN ARG VAL LYS ASP ALA ALA GLU PHE ALA ILE SER
SEQRES 6 A 138 ILE LYS TYR ASN VAL GLU VAL LYS HIS ILE LYS ILE MET
SEQRES 7 A 138 THR ALA GLU GLY LEU TYR ARG ILE THR GLU LYS LYS ALA
SEQRES 8 A 138 PHE ARG GLY LEU THR GLU LEU VAL GLU PHE TYR GLN GLN
SEQRES 9 A 138 ASN SER LEU LYS ASP CYS PHE LYS SER LEU ASP THR THR
SEQRES 10 A 138 LEU GLN PHE PRO PHE LYS GLU PRO GLU LYS ARG THR ILE
SEQRES 11 A 138 SER ARG SER GLY PRO SER SER GLY
HELIX 1 1 ASP A 22 HIS A 26 5 5
HELIX 2 2 GLU A 34 LEU A 42 1 9
HELIX 3 3 GLY A 94 GLN A 103 1 10
HELIX 4 4 SER A 106 CYS A 110 5 5
SHEET 1 A 4 GLU A 71 LYS A 76 0
SHEET 2 A 4 ALA A 63 TYR A 68 -1 N TYR A 68 O GLU A 71
SHEET 3 A 4 THR A 49 ARG A 53 -1 N LEU A 51 O SER A 65
SHEET 4 A 4 PHE A 120 PRO A 121 1 O PHE A 120 N PHE A 50
SHEET 1 B 2 MET A 78 ALA A 80 0
SHEET 2 B 2 LEU A 83 ARG A 85 -1 O ARG A 85 N MET A 78
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