Header list of 1uju.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 11-AUG-03 1UJU
TITLE SOLUTION STRUCTURE OF THE FOURTH PDZ DOMAIN OF HUMAN SCRIBBLE
TITLE 2 (KIAA0147 PROTEIN)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SCRIBBLE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: KIAA0147 PROTEIN;
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: P021030-58;
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,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UJU 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UJU 1 VERSN
REVDAT 1 11-FEB-04 1UJU 0
JRNL AUTH N.TOCHIO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FOURTH 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 1UJU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-AUG-03.
REMARK 100 THE DEPOSITION ID IS D_1000005906.
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 : 1.5MM PDZ DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER NA; 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 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 200204025, NMRVIEW
REMARK 210 5.0.4, KUJIRA 0.816, 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 LOWEST
REMARK 210 ENERGY, TARGET 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 LEU A 10 33.06 -97.77
REMARK 500 1 ALA A 18 168.27 -45.06
REMARK 500 1 ARG A 32 -44.76 -130.17
REMARK 500 1 HIS A 34 129.23 -35.67
REMARK 500 1 THR A 42 33.64 -87.43
REMARK 500 1 SER A 91 30.00 -90.64
REMARK 500 1 ASP A 102 101.84 -46.26
REMARK 500 1 SER A 106 40.51 -100.56
REMARK 500 2 PRO A 19 1.23 -69.80
REMARK 500 2 HIS A 34 -34.56 -37.83
REMARK 500 2 PRO A 38 2.19 -69.72
REMARK 500 2 THR A 42 44.57 -82.39
REMARK 500 2 GLU A 44 41.58 -81.31
REMARK 500 2 ASP A 60 -72.29 -50.17
REMARK 500 2 ASP A 102 95.15 -54.31
REMARK 500 2 PHE A 104 117.49 -171.51
REMARK 500 3 ALA A 18 168.34 -46.51
REMARK 500 3 PRO A 19 1.61 -69.74
REMARK 500 3 ARG A 32 -31.18 -130.72
REMARK 500 3 HIS A 34 43.24 -81.26
REMARK 500 3 ALA A 35 30.18 36.37
REMARK 500 3 ASN A 37 114.84 -172.58
REMARK 500 3 PRO A 41 1.85 -69.69
REMARK 500 3 VAL A 65 106.97 -49.79
REMARK 500 3 SER A 91 33.52 -91.41
REMARK 500 3 LEU A 99 34.17 -99.51
REMARK 500 4 SER A 3 101.29 -46.90
REMARK 500 4 LEU A 10 38.99 -84.79
REMARK 500 4 ALA A 18 168.05 -47.89
REMARK 500 4 PRO A 19 2.37 -69.81
REMARK 500 4 ALA A 35 120.80 -35.71
REMARK 500 4 THR A 42 49.49 -101.17
REMARK 500 4 VAL A 100 178.37 -49.38
REMARK 500 4 PHE A 104 113.39 -164.39
REMARK 500 5 SER A 6 56.17 -97.18
REMARK 500 5 ALA A 35 125.68 -35.97
REMARK 500 5 ARG A 39 -70.20 -34.21
REMARK 500 5 THR A 42 41.73 -89.04
REMARK 500 5 GLU A 44 71.36 -101.30
REMARK 500 5 VAL A 65 104.48 -56.63
REMARK 500 5 SER A 91 33.10 -96.24
REMARK 500 5 ASP A 102 104.61 -43.83
REMARK 500 5 GLU A 105 -39.02 -39.05
REMARK 500 6 SER A 2 88.69 -61.10
REMARK 500 6 SER A 6 -73.36 -105.27
REMARK 500 6 PRO A 19 2.41 -69.77
REMARK 500 6 ARG A 39 -72.39 -34.25
REMARK 500 6 LYS A 50 139.70 -175.79
REMARK 500 6 ARG A 64 146.61 -175.23
REMARK 500 6 VAL A 65 105.49 -57.89
REMARK 500
REMARK 500 THIS ENTRY HAS 201 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002200144.1 RELATED DB: TARGETDB
DBREF 1UJU A 8 105 UNP Q14160 LAP4_HUMAN 1096 1193
SEQADV 1UJU GLY A 1 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 2 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 3 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU GLY A 4 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 5 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 6 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU GLY A 7 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 106 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU GLY A 107 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU PRO A 108 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 109 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU SER A 110 UNP Q14160 CLONING ARTIFACT
SEQADV 1UJU GLY A 111 UNP Q14160 CLONING ARTIFACT
SEQRES 1 A 111 GLY SER SER GLY SER SER GLY PRO GLY LEU ARG GLU LEU
SEQRES 2 A 111 CYS ILE GLN LYS ALA PRO GLY GLU ARG LEU GLY ILE SER
SEQRES 3 A 111 ILE ARG GLY GLY ALA ARG GLY HIS ALA GLY ASN PRO ARG
SEQRES 4 A 111 ASP PRO THR ASP GLU GLY ILE PHE ILE SER LYS VAL SER
SEQRES 5 A 111 PRO THR GLY ALA ALA GLY ARG ASP GLY ARG LEU ARG VAL
SEQRES 6 A 111 GLY LEU ARG LEU LEU GLU VAL ASN GLN GLN SER LEU LEU
SEQRES 7 A 111 GLY LEU THR HIS GLY GLU ALA VAL GLN LEU LEU ARG SER
SEQRES 8 A 111 VAL GLY ASP THR LEU THR VAL LEU VAL CYS ASP GLY PHE
SEQRES 9 A 111 GLU SER GLY PRO SER SER GLY
HELIX 1 1 GLY A 55 GLY A 61 1 7
HELIX 2 2 THR A 81 ARG A 90 1 10
SHEET 1 A 2 LEU A 13 GLN A 16 0
SHEET 2 A 2 THR A 95 VAL A 98 -1 O VAL A 98 N LEU A 13
SHEET 1 B 2 ILE A 25 ARG A 28 0
SHEET 2 B 2 PHE A 47 VAL A 51 -1 O LYS A 50 N SER A 26
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