Header list of 1wha.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 28-MAY-04 1WHA
TITLE SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN SCRIBBLE
TITLE 2 (KIAA0147 PROTEIN).
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIAA0147 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: SCRIBBLE;
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: KAZUSA CDNA HA01022S1;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-56;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, CELLULAR SIGNALING, STRUCTURAL GENOMICS, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WHA 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WHA 1 VERSN
REVDAT 1 28-NOV-04 1WHA 0
JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN
JRNL TITL 2 SCRIBBLE (KIAA0147 PROTEIN).
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WHA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023580.
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 : 1.1MM PDZ DOMAIN U-15N,13C; 20MM
REMARK 210 PHOSPHATE BUFFER NA; 100MM NACL;
REMARK 210 1MM D-DTT; 0.02% NAN3; 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 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.8994, 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 : 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 3 113.19 -162.88
REMARK 500 1 PRO A 32 88.71 -69.79
REMARK 500 1 TYR A 33 -31.07 -37.41
REMARK 500 1 ALA A 50 -63.30 -90.15
REMARK 500 1 HIS A 52 -71.02 -76.63
REMARK 500 1 ARG A 53 -35.54 -38.88
REMARK 500 1 ALA A 54 -70.04 -41.10
REMARK 500 1 VAL A 59 105.32 -55.43
REMARK 500 2 SER A 3 -61.73 -102.29
REMARK 500 2 SER A 5 170.37 -49.81
REMARK 500 2 SER A 6 170.54 -55.91
REMARK 500 2 PRO A 32 86.21 -69.77
REMARK 500 2 TYR A 33 -31.62 -35.67
REMARK 500 2 ALA A 35 109.83 -54.25
REMARK 500 2 ALA A 38 32.94 -95.83
REMARK 500 2 ALA A 46 97.86 -58.16
REMARK 500 2 THR A 56 34.36 -97.21
REMARK 500 2 VAL A 59 108.01 -55.99
REMARK 500 2 ALA A 85 152.43 -40.59
REMARK 500 2 PRO A 102 85.05 -69.75
REMARK 500 3 SER A 2 89.34 -59.18
REMARK 500 3 SER A 6 165.91 -43.93
REMARK 500 3 SER A 30 -75.48 -106.32
REMARK 500 3 PRO A 32 81.99 -69.76
REMARK 500 3 TYR A 33 -30.17 -36.60
REMARK 500 3 ALA A 46 105.25 -58.63
REMARK 500 3 ALA A 86 37.44 70.02
REMARK 500 4 SER A 6 176.25 -47.85
REMARK 500 4 PRO A 32 89.68 -69.76
REMARK 500 4 TYR A 33 -30.35 -37.30
REMARK 500 4 ALA A 46 98.74 -57.25
REMARK 500 4 ALA A 85 157.92 -38.74
REMARK 500 5 SER A 6 163.73 -45.02
REMARK 500 5 PRO A 32 80.88 -69.75
REMARK 500 5 TYR A 33 -27.65 -38.30
REMARK 500 5 ALA A 46 104.03 -57.20
REMARK 500 5 ASN A 67 43.15 70.85
REMARK 500 5 ALA A 85 175.06 -50.21
REMARK 500 6 SER A 30 -75.51 -103.09
REMARK 500 6 PRO A 32 84.22 -69.86
REMARK 500 6 TYR A 33 -31.45 -35.45
REMARK 500 6 ALA A 85 -176.07 -50.91
REMARK 500 6 ALA A 98 30.38 -91.00
REMARK 500 6 SER A 100 90.27 -68.57
REMARK 500 6 SER A 103 96.29 -41.26
REMARK 500 7 SER A 6 175.13 -50.38
REMARK 500 7 LEU A 20 -70.88 -34.19
REMARK 500 7 PRO A 32 86.81 -69.70
REMARK 500 7 TYR A 33 -28.04 -39.15
REMARK 500 7 ALA A 35 109.12 -53.44
REMARK 500
REMARK 500 THIS ENTRY HAS 149 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002200144.2 RELATED DB: TARGETDB
DBREF 1WHA A 8 99 UNP Q14160 LAP4_HUMAN 860 951
SEQADV 1WHA GLY A 1 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 2 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 3 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA GLY A 4 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 5 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 6 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA GLY A 7 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 100 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA GLY A 101 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA PRO A 102 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 103 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA SER A 104 UNP Q14160 CLONING ARTIFACT
SEQADV 1WHA GLY A 105 UNP Q14160 CLONING ARTIFACT
SEQRES 1 A 105 GLY SER SER GLY SER SER GLY ARG HIS VAL ALA CYS LEU
SEQRES 2 A 105 ALA ARG SER GLU ARG GLY LEU GLY PHE SER ILE ALA GLY
SEQRES 3 A 105 GLY LYS GLY SER THR PRO TYR ARG ALA GLY ASP ALA GLY
SEQRES 4 A 105 ILE PHE VAL SER ARG ILE ALA GLU GLY GLY ALA ALA HIS
SEQRES 5 A 105 ARG ALA GLY THR LEU GLN VAL GLY ASP ARG VAL LEU SER
SEQRES 6 A 105 ILE ASN GLY VAL ASP VAL THR GLU ALA ARG HIS ASP HIS
SEQRES 7 A 105 ALA VAL SER LEU LEU THR ALA ALA SER PRO THR ILE ALA
SEQRES 8 A 105 LEU LEU LEU GLU ARG GLU ALA GLY SER GLY PRO SER SER
SEQRES 9 A 105 GLY
HELIX 1 1 ALA A 50 GLY A 55 1 6
HELIX 2 2 ARG A 75 THR A 84 1 10
SHEET 1 A 3 GLY A 7 LEU A 13 0
SHEET 2 A 3 ILE A 90 ARG A 96 -1 O LEU A 94 N HIS A 9
SHEET 3 A 3 ARG A 62 ILE A 66 -1 N LEU A 64 O LEU A 93
SHEET 1 B 2 SER A 23 ALA A 25 0
SHEET 2 B 2 PHE A 41 ARG A 44 -1 O PHE A 41 N ALA A 25
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