Header list of 1wif.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WIF
TITLE THE SOLUTION STRUCTURE OF RSGI RUH-020, A PDZ DOMAIN OF HYPOTHETICAL
TITLE 2 PROTEIN FROM MOUSE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIKEN CDNA 4930408O21;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: RSGI RUH-020;
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 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, STRUCTURAL GENOMICS, MOUSE CDNA, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR W.OHASHI,T.YAMAZAKI,H.HIROTA,T.TOMIZAWA,S.KOSHIBA,T.KIGAWA,
AUTHOR 2 S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WIF 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WIF 1 VERSN
REVDAT 1 28-NOV-04 1WIF 0
JRNL AUTH W.OHASHI,T.YAMAZAKI,H.HIROTA,T.TOMIZAWA,S.KOSHIBA,T.KIGAWA,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL THE SOLUTION STRUCTURE OF RSGI RUH-020, A PDZ DOMAIN OF
JRNL TITL 2 HYPOTHETICAL PROTEIN FROM MOUSE
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WIF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023614.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 4.5
REMARK 210 IONIC STRENGTH : 100MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM RSGI RUH-020 U-13C, 15N;
REMARK 210 20MM NAOAC U-2H, 100MM NACL, 1MM
REMARK 210 DTT U-2H, 0.02% NAN3; 90% H2O,
REMARK 210 10% D2O
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 2.1, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.910, CYANA 2.0.17
REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : THE SUBMITTED CONFORMER MODELS
REMARK 210 ARE THOSE WITH THE LOWEST NUMBER
REMARK 210 OF TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY
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 8 82.52 41.17
REMARK 500 1 LYS A 12 86.31 -58.92
REMARK 500 1 ALA A 18 46.57 -151.20
REMARK 500 1 SER A 23 34.83 165.56
REMARK 500 1 LEU A 40 101.80 -47.06
REMARK 500 1 LEU A 42 130.17 -31.44
REMARK 500 1 LYS A 59 44.65 -82.16
REMARK 500 1 PRO A 70 81.43 -69.80
REMARK 500 1 SER A 76 75.24 160.30
REMARK 500 1 HIS A 79 22.69 43.79
REMARK 500 1 ASN A 81 88.40 -49.31
REMARK 500 1 PHE A 111 -69.35 -105.09
REMARK 500 1 SER A 124 139.52 64.14
REMARK 500 2 SER A 5 176.39 61.59
REMARK 500 2 SER A 8 -164.51 41.41
REMARK 500 2 ASN A 10 131.69 65.12
REMARK 500 2 GLU A 11 111.50 64.20
REMARK 500 2 GLN A 14 125.82 60.08
REMARK 500 2 LYS A 19 154.55 177.33
REMARK 500 2 ALA A 20 136.75 -35.64
REMARK 500 2 SER A 21 40.44 -104.65
REMARK 500 2 SER A 23 76.58 170.39
REMARK 500 2 LEU A 40 100.51 -46.10
REMARK 500 2 LEU A 42 128.35 -26.43
REMARK 500 2 ILE A 53 90.87 -65.05
REMARK 500 2 LYS A 59 47.00 -89.55
REMARK 500 2 ILE A 67 -40.18 -133.78
REMARK 500 2 PRO A 70 83.48 -69.70
REMARK 500 2 ASP A 72 -165.63 -106.54
REMARK 500 2 SER A 76 75.53 160.31
REMARK 500 2 HIS A 79 14.97 55.77
REMARK 500 2 ASN A 81 99.54 -43.70
REMARK 500 2 PHE A 111 -71.42 -47.26
REMARK 500 2 SER A 125 113.75 -175.88
REMARK 500 3 SER A 2 148.18 -170.25
REMARK 500 3 SER A 6 137.68 -170.86
REMARK 500 3 ASN A 10 153.60 -44.81
REMARK 500 3 GLU A 11 138.10 62.02
REMARK 500 3 ALA A 18 62.15 -115.97
REMARK 500 3 SER A 21 45.48 -157.67
REMARK 500 3 SER A 23 43.42 -153.48
REMARK 500 3 SER A 24 85.75 39.09
REMARK 500 3 LEU A 40 101.18 -47.02
REMARK 500 3 LEU A 42 135.93 -25.52
REMARK 500 3 PRO A 49 0.06 -69.80
REMARK 500 3 LYS A 59 45.33 -78.15
REMARK 500 3 PRO A 70 79.92 -69.75
REMARK 500 3 SER A 76 75.36 160.31
REMARK 500 3 ASN A 81 90.84 -45.46
REMARK 500 3 TRP A 118 -74.25 -72.28
REMARK 500
REMARK 500 THIS ENTRY HAS 429 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007011942.1 RELATED DB: TARGETDB
DBREF 1WIF A 8 120 UNP Q9CR71 Q9CR71_MOUSE 8 120
SEQADV 1WIF GLY A 1 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 2 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 3 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF GLY A 4 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 5 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 6 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF GLY A 7 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 121 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF GLY A 122 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF PRO A 123 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 124 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF SER A 125 UNP Q9CR71 CLONING ARTIFACT
SEQADV 1WIF GLY A 126 UNP Q9CR71 CLONING ARTIFACT
SEQRES 1 A 126 GLY SER SER GLY SER SER GLY SER LYS ASN GLU LYS GLU
SEQRES 2 A 126 GLN LEU SER LYS ALA LYS ALA SER VAL SER SER LEU ASN
SEQRES 3 A 126 LYS VAL ILE GLN THR LYS LEU THR VAL GLY ASN LEU GLY
SEQRES 4 A 126 LEU GLY LEU VAL VAL ILE GLN ASN GLY PRO TYR LEU GLN
SEQRES 5 A 126 ILE SER HIS LEU ILE ASN LYS GLY ALA ALA ALA SER ASP
SEQRES 6 A 126 GLY ILE LEU GLN PRO GLY ASP VAL LEU ILE SER VAL GLY
SEQRES 7 A 126 HIS ALA ASN VAL LEU GLY TYR THR LEU ARG GLU PHE LEU
SEQRES 8 A 126 LYS LEU LEU GLN ASN ILE THR ILE GLY THR VAL LEU GLN
SEQRES 9 A 126 ILE LYS ALA TYR ARG GLY PHE LEU GLU ILE PRO GLN GLU
SEQRES 10 A 126 TRP GLN ASP SER GLY PRO SER SER GLY
HELIX 1 1 ALA A 61 ASP A 65 5 5
HELIX 2 2 THR A 86 GLN A 95 1 10
SHEET 1 A 3 VAL A 28 THR A 34 0
SHEET 2 A 3 VAL A 102 TYR A 108 -1 O ALA A 107 N ILE A 29
SHEET 3 A 3 LEU A 74 VAL A 77 -1 N ILE A 75 O LYS A 106
SHEET 1 B 2 VAL A 44 ASN A 47 0
SHEET 2 B 2 TYR A 50 ILE A 53 -1 O GLN A 52 N ILE A 45
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