Header list of 1whd.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 28-MAY-04 1WHD
TITLE SOLUTION STRUCTURE OF THE PDZ DOMAIN OF RGS3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: REGULATOR OF G-PROTEIN SIGNALING 3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: RGS3;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: RIKEN CDNA 4930506N09;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030714-81;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS REGULATOR OF G-PROTEIN SIGNALING, PDZ DOMAIN, STRUCTURAL GENOMICS,
KEYWDS 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, SIGNALING
KEYWDS 3 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAKANISHI,N.NEMOTO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WHD 1 REMARK SEQADV SHEET
REVDAT 2 24-FEB-09 1WHD 1 VERSN
REVDAT 1 28-NOV-04 1WHD 0
JRNL AUTH T.NAKANISHI,N.NEMOTO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PDZ DOMAIN OF RGS3
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 2.0.17
REMARK 3 AUTHORS : GUNTERT, P.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WHD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023583.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.04MM PDZ DOMAIN U-15N, 13C;
REMARK 210 20MM NAPI; 100MM NACL; 1MM D-DTT;
REMARK 210 0.02% NAN3; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 920 MHZ
REMARK 210 SPECTROMETER MODEL : ECA
REMARK 210 SPECTROMETER MANUFACTURER : JEOL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DELTA 4.2, NMRPIPE 20030801,
REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.8999,
REMARK 210 CYANA 2.0.17
REMARK 210 METHOD USED : NULL
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, 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 SER A 5 143.29 -174.23
REMARK 500 1 ASN A 13 -74.16 -86.42
REMARK 500 1 LYS A 25 111.87 -165.66
REMARK 500 1 ASP A 26 38.84 34.86
REMARK 500 1 CYS A 34 -179.26 -173.25
REMARK 500 1 SER A 36 121.91 -32.53
REMARK 500 1 ALA A 77 -37.65 -38.90
REMARK 500 1 SER A 85 -72.47 -87.07
REMARK 500 1 PRO A 97 2.79 -69.84
REMARK 500 1 SER A 98 101.68 -34.41
REMARK 500 2 PRO A 11 -173.92 -69.83
REMARK 500 2 ASP A 26 105.05 -175.17
REMARK 500 2 CYS A 34 148.93 -177.85
REMARK 500 2 SER A 36 124.50 -32.75
REMARK 500 2 ALA A 77 -38.56 -32.49
REMARK 500 2 PRO A 97 4.39 -69.82
REMARK 500 2 SER A 98 100.23 -34.38
REMARK 500 3 SER A 2 49.15 -85.27
REMARK 500 3 SER A 3 45.82 34.45
REMARK 500 3 LYS A 25 134.48 -173.25
REMARK 500 3 SER A 36 122.67 -34.44
REMARK 500 3 ALA A 77 -37.39 -34.66
REMARK 500 3 SER A 85 -72.97 -92.34
REMARK 500 4 GLU A 8 41.86 36.97
REMARK 500 4 PHE A 28 91.81 -66.24
REMARK 500 4 SER A 36 120.60 -30.78
REMARK 500 4 ALA A 42 147.85 -171.18
REMARK 500 4 GLU A 65 29.99 47.25
REMARK 500 4 ALA A 77 -39.07 -33.74
REMARK 500 4 SER A 85 -75.19 -42.95
REMARK 500 4 PRO A 97 89.96 -69.76
REMARK 500 5 SER A 6 153.96 -45.72
REMARK 500 5 ARG A 23 97.30 -47.15
REMARK 500 5 PHE A 28 87.76 -51.61
REMARK 500 5 CYS A 34 -176.25 -175.82
REMARK 500 5 SER A 36 119.97 -30.57
REMARK 500 5 SER A 85 -75.17 -39.90
REMARK 500 6 PRO A 11 -176.63 -69.74
REMARK 500 6 ARG A 23 101.11 -53.61
REMARK 500 6 PHE A 28 -60.95 -97.19
REMARK 500 6 SER A 36 120.63 -32.14
REMARK 500 6 SER A 45 48.54 -76.65
REMARK 500 6 ALA A 77 -39.57 -33.46
REMARK 500 6 SER A 82 -36.36 -38.08
REMARK 500 6 PRO A 97 2.82 -69.80
REMARK 500 6 SER A 98 141.82 -34.58
REMARK 500 7 SER A 36 119.49 -31.39
REMARK 500 7 LEU A 61 -61.96 -93.88
REMARK 500 7 CYS A 73 -31.78 -35.26
REMARK 500 7 VAL A 74 -75.46 -66.84
REMARK 500
REMARK 500 THIS ENTRY HAS 170 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 AUTHOR DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 700
REMARK 700 SHEET
REMARK 700 AUTHOR DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007012264.1 RELATED DB: TARGETDB
DBREF 1WHD A 8 94 UNP Q9DC04 RGS3_MOUSE 185 271
SEQADV 1WHD GLY A 1 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 2 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 3 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD GLY A 4 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 5 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 6 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD GLY A 7 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 95 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD GLY A 96 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD PRO A 97 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 98 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD SER A 99 UNP Q9DC04 CLONING ARTIFACT
SEQADV 1WHD GLY A 100 UNP Q9DC04 CLONING ARTIFACT
SEQRES 1 A 100 GLY SER SER GLY SER SER GLY GLU GLY ASP PRO GLU ASN
SEQRES 2 A 100 GLY GLU LYS LEU GLN ILE THR ILE ARG ARG GLY LYS ASP
SEQRES 3 A 100 GLY PHE GLY PHE THR ILE CYS CYS ASP SER PRO VAL ARG
SEQRES 4 A 100 VAL GLN ALA VAL ASP SER GLY GLY PRO ALA GLU ARG ALA
SEQRES 5 A 100 GLY LEU GLN GLN LEU ASP THR VAL LEU GLN LEU ASN GLU
SEQRES 6 A 100 ARG PRO VAL GLU HIS TRP LYS CYS VAL GLU LEU ALA HIS
SEQRES 7 A 100 GLU ILE ARG SER CYS PRO SER GLU ILE ILE LEU LEU VAL
SEQRES 8 A 100 TRP ARG VAL SER GLY PRO SER SER GLY
HELIX 1 1 ALA A 49 ALA A 52 1 4
HELIX 2 2 CYS A 73 SER A 82 1 10
SHEET 1 A 6 GLU A 15 ARG A 22 0
SHEET 2 A 6 PHE A 30 ILE A 32 0
SHEET 3 A 6 VAL A 40 VAL A 43 0
SHEET 4 A 6 VAL A 60 LEU A 63 0
SHEET 5 A 6 ARG A 66 PRO A 67 0
SHEET 6 A 6 GLU A 86 ARG A 93 0
CISPEP 1 SER A 36 PRO A 37 1 -0.03
CISPEP 2 SER A 36 PRO A 37 2 -0.03
CISPEP 3 SER A 36 PRO A 37 3 -0.01
CISPEP 4 SER A 36 PRO A 37 4 -0.01
CISPEP 5 SER A 36 PRO A 37 5 -0.07
CISPEP 6 SER A 36 PRO A 37 6 -0.05
CISPEP 7 SER A 36 PRO A 37 7 0.05
CISPEP 8 SER A 36 PRO A 37 8 -0.05
CISPEP 9 SER A 36 PRO A 37 9 0.03
CISPEP 10 SER A 36 PRO A 37 10 -0.05
CISPEP 11 SER A 36 PRO A 37 11 0.02
CISPEP 12 SER A 36 PRO A 37 12 -0.03
CISPEP 13 SER A 36 PRO A 37 13 -0.01
CISPEP 14 SER A 36 PRO A 37 14 -0.05
CISPEP 15 SER A 36 PRO A 37 15 -0.09
CISPEP 16 SER A 36 PRO A 37 16 -0.06
CISPEP 17 SER A 36 PRO A 37 17 -0.04
CISPEP 18 SER A 36 PRO A 37 18 -0.04
CISPEP 19 SER A 36 PRO A 37 19 0.01
CISPEP 20 SER A 36 PRO A 37 20 0.06
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