Header list of 2d92.pdb file
Complete list - r 9 2 Bytes
HEADER PROTEIN BINDING 08-DEC-05 2D92
TITLE SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF INAD-LIKE PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INAD-LIKE PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: INADL PROTEIN, HINADL, PALS1-ASSOCIATED TIGHT JUNCTION
COMPND 6 PROTEIN, PROTEIN ASSOCIATED TO TIGHT JUNCTIONS;
COMPND 7 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: INADL, PATJ;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050214-02;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, INAD-LIKE PROTEIN, INADL PROTEIN, HINADL, PALS1-
KEYWDS 2 ASSOCIATED TIGHT JUNCTION PROTEIN, PROTEIN ASSOCIATED TO TIGHT
KEYWDS 3 JUNCTIONS, INADL, PATJ, STRUCTURAL GENOMICS, NPPSFA, NATIONAL
KEYWDS 4 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN
KEYWDS 5 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, PROTEIN BINDING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.INOUE,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2D92 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2D92 1 VERSN
REVDAT 1 08-JUN-06 2D92 0
JRNL AUTH K.INOUE,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF INAD-LIKE
JRNL TITL 2 PROTEIN
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 2D92 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-DEC-05.
REMARK 100 THE DEPOSITION ID IS D_1000025139.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.43MM U-15N, 13C-LABELED
REMARK 210 PROTEIN; 20MM D-TRIS-HCL; 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 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 0.93191, 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 8 136.81 -36.56
REMARK 500 1 LEU A 9 107.66 -55.36
REMARK 500 1 LEU A 11 -33.32 -36.25
REMARK 500 1 PRO A 14 1.83 -69.75
REMARK 500 1 GLU A 74 50.92 70.16
REMARK 500 1 CYS A 76 103.40 -58.22
REMARK 500 1 ASN A 79 41.46 39.12
REMARK 500 1 PRO A 105 87.84 -69.73
REMARK 500 2 SER A 5 41.94 34.60
REMARK 500 2 PRO A 14 0.73 -69.75
REMARK 500 2 VAL A 56 -37.43 -35.56
REMARK 500 2 GLU A 74 51.40 73.04
REMARK 500 2 PRO A 105 95.21 -69.74
REMARK 500 3 PRO A 14 2.57 -69.68
REMARK 500 3 VAL A 56 -39.42 -36.83
REMARK 500 3 GLU A 74 52.45 74.21
REMARK 500 3 PRO A 105 93.42 -69.86
REMARK 500 4 SER A 6 142.03 -34.68
REMARK 500 4 PRO A 14 0.50 -69.73
REMARK 500 4 VAL A 56 -38.88 -34.94
REMARK 500 4 GLU A 74 51.76 70.87
REMARK 500 4 SER A 103 108.85 -48.32
REMARK 500 4 PRO A 105 81.61 -69.71
REMARK 500 5 LEU A 11 -29.52 -36.93
REMARK 500 5 PRO A 14 2.51 -69.74
REMARK 500 5 PRO A 105 87.53 -69.79
REMARK 500 5 SER A 107 128.36 -173.13
REMARK 500 6 SER A 3 42.92 37.67
REMARK 500 6 PRO A 14 0.87 -69.82
REMARK 500 6 VAL A 52 154.66 -48.07
REMARK 500 6 VAL A 56 -38.28 -33.78
REMARK 500 6 GLU A 74 49.68 73.05
REMARK 500 6 PRO A 105 90.02 -69.76
REMARK 500 7 PRO A 14 2.89 -69.71
REMARK 500 7 VAL A 56 -36.64 -34.40
REMARK 500 7 LEU A 77 38.03 -99.02
REMARK 500 7 PRO A 105 80.14 -69.82
REMARK 500 8 LEU A 9 100.94 -47.87
REMARK 500 8 PRO A 14 2.92 -69.79
REMARK 500 8 LEU A 28 -75.24 -88.20
REMARK 500 8 VAL A 56 -35.20 -39.02
REMARK 500 8 CYS A 76 93.02 -60.06
REMARK 500 8 LEU A 77 31.65 -89.06
REMARK 500 8 PRO A 105 95.39 -69.72
REMARK 500 9 PRO A 14 0.87 -69.82
REMARK 500 9 SER A 50 148.39 -171.59
REMARK 500 9 VAL A 56 -39.69 -35.79
REMARK 500 9 CYS A 76 95.91 -64.83
REMARK 500 9 LEU A 77 31.43 -93.83
REMARK 500 9 PRO A 105 99.05 -69.78
REMARK 500
REMARK 500 THIS ENTRY HAS 99 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO003006830.3 RELATED DB: TARGETDB
DBREF 2D92 A 8 102 UNP Q8NI35 INADL_HUMAN 676 770
SEQADV 2D92 GLY A 1 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 2 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 3 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 GLY A 4 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 5 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 6 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 GLY A 7 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 103 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 GLY A 104 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 PRO A 105 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 106 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 SER A 107 UNP Q8NI35 CLONING ARTIFACT
SEQADV 2D92 GLY A 108 UNP Q8NI35 CLONING ARTIFACT
SEQRES 1 A 108 GLY SER SER GLY SER SER GLY GLU LEU ALA LEU TRP SER
SEQRES 2 A 108 PRO GLU VAL LYS ILE VAL GLU LEU VAL LYS ASP CYS LYS
SEQRES 3 A 108 GLY LEU GLY PHE SER ILE LEU ASP TYR GLN ASP PRO LEU
SEQRES 4 A 108 ASP PRO THR ARG SER VAL ILE VAL ILE ARG SER LEU VAL
SEQRES 5 A 108 ALA ASP GLY VAL ALA GLU ARG SER GLY GLY LEU LEU PRO
SEQRES 6 A 108 GLY ASP ARG LEU VAL SER VAL ASN GLU TYR CYS LEU ASP
SEQRES 7 A 108 ASN THR SER LEU ALA GLU ALA VAL GLU ILE LEU LYS ALA
SEQRES 8 A 108 VAL PRO PRO GLY LEU VAL HIS LEU GLY ILE CYS SER GLY
SEQRES 9 A 108 PRO SER SER GLY
HELIX 1 1 GLY A 55 GLY A 61 1 7
HELIX 2 2 SER A 81 VAL A 92 1 12
SHEET 1 A 3 LYS A 17 LYS A 23 0
SHEET 2 A 3 GLY A 95 CYS A 102 -1 O LEU A 99 N VAL A 19
SHEET 3 A 3 ARG A 68 VAL A 72 -1 N ARG A 68 O CYS A 102
SHEET 1 B 2 PHE A 30 GLN A 36 0
SHEET 2 B 2 SER A 44 LEU A 51 -1 O VAL A 45 N TYR A 35
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