Header list of 2csj.pdb file
Complete list - r 9 2 Bytes
HEADER CELL ADHESION 21-MAY-05 2CSJ
TITLE SOLUTION STRUCTURE OF N-TERMINAL PDZ DOMAIN FROM MOUSE TJP2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TJP2 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL PDZ DOMAIN;
COMPND 5 SYNONYM: TIGHT JUNCTION PROTEIN ZO-2, ZONULA OCCLUDENS 2 PROTEIN,
COMPND 6 ZONA OCCLUDENS 2 PROTEIN, TIGHT JUNCTION PROTEIN 2;
COMPND 7 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 4632401G08;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040727-10;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, TJP2, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON
KEYWDS 2 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, CELL ADHESION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.SUETAKE,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CSJ 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CSJ 1 VERSN
REVDAT 1 21-NOV-05 2CSJ 0
JRNL AUTH T.SUETAKE,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF N-TERMINAL PDZ DOMAIN FROM MOUSE TJP2
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 2CSJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024575.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 100MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.20MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM
REMARK 210 D10-DTT; 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 900 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 0.927, 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 VIOLATION, 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 98.34 -46.84
REMARK 500 1 GLU A 9 49.79 39.40
REMARK 500 1 LYS A 22 96.93 -62.38
REMARK 500 1 ASP A 23 -174.65 -62.90
REMARK 500 1 SER A 24 -76.95 -42.09
REMARK 500 1 PRO A 39 81.89 -69.76
REMARK 500 1 PHE A 41 100.14 -33.66
REMARK 500 1 THR A 46 48.93 -76.28
REMARK 500 1 LEU A 54 106.15 -34.05
REMARK 500 1 ASP A 60 91.44 -44.46
REMARK 500 1 ASN A 66 31.78 74.17
REMARK 500 1 ARG A 68 96.61 -37.70
REMARK 500 1 LYS A 94 -31.89 -132.85
REMARK 500 1 ARG A 104 73.81 -109.35
REMARK 500 1 LYS A 105 140.72 -35.69
REMARK 500 1 PRO A 110 -172.21 -69.77
REMARK 500 2 LYS A 22 87.98 -69.41
REMARK 500 2 ASP A 23 -179.01 -49.71
REMARK 500 2 SER A 24 -76.25 -40.20
REMARK 500 2 PRO A 39 83.13 -69.75
REMARK 500 2 PHE A 41 109.43 -32.68
REMARK 500 2 THR A 46 42.66 -85.11
REMARK 500 2 LEU A 54 105.72 -35.30
REMARK 500 2 PRO A 55 1.00 -69.76
REMARK 500 2 ASP A 60 90.73 -45.68
REMARK 500 2 ARG A 104 55.19 -93.51
REMARK 500 2 LYS A 105 140.18 -34.07
REMARK 500 2 ALA A 109 153.69 -39.33
REMARK 500 2 LEU A 111 76.09 -102.51
REMARK 500 3 SER A 6 145.39 -173.07
REMARK 500 3 LYS A 22 87.90 -58.04
REMARK 500 3 ASP A 23 -174.65 -51.47
REMARK 500 3 SER A 24 -77.54 -43.17
REMARK 500 3 ARG A 26 -19.38 -48.69
REMARK 500 3 PRO A 39 90.18 -69.69
REMARK 500 3 PHE A 41 105.23 -33.66
REMARK 500 3 THR A 46 46.76 -92.54
REMARK 500 3 LEU A 54 111.05 -38.93
REMARK 500 3 ASP A 60 93.92 -53.36
REMARK 500 3 ARG A 68 98.47 -35.71
REMARK 500 3 ARG A 104 78.06 -103.89
REMARK 500 4 MET A 8 168.65 -49.29
REMARK 500 4 LYS A 22 94.21 -53.44
REMARK 500 4 ASP A 23 179.53 -49.95
REMARK 500 4 SER A 24 -76.07 -37.64
REMARK 500 4 PRO A 39 79.89 -69.71
REMARK 500 4 PHE A 41 103.66 -32.39
REMARK 500 4 THR A 46 49.86 -81.15
REMARK 500 4 ASP A 52 117.50 -161.13
REMARK 500 4 LEU A 54 108.85 -33.24
REMARK 500
REMARK 500 THIS ENTRY HAS 270 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT008000522.1 RELATED DB: TARGETDB
DBREF 2CSJ A 8 111 UNP Q9Z0U1 ZO2_MOUSE 1 104
SEQADV 2CSJ GLY A 1 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 2 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 3 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ GLY A 4 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 5 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 6 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ GLY A 7 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 112 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ GLY A 113 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ PRO A 114 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 115 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ SER A 116 UNP Q9Z0U1 CLONING ARTIFACT
SEQADV 2CSJ GLY A 117 UNP Q9Z0U1 CLONING ARTIFACT
SEQRES 1 A 117 GLY SER SER GLY SER SER GLY MET GLU GLU VAL ILE TRP
SEQRES 2 A 117 GLU GLN TYR THR VAL THR LEU GLN LYS ASP SER LYS ARG
SEQRES 3 A 117 GLY PHE GLY ILE ALA VAL SER GLY GLY ARG ASP ASN PRO
SEQRES 4 A 117 HIS PHE GLU ASN GLY GLU THR SER ILE VAL ILE SER ASP
SEQRES 5 A 117 VAL LEU PRO GLY GLY PRO ALA ASP GLY LEU LEU GLN GLU
SEQRES 6 A 117 ASN ASP ARG VAL VAL MET VAL ASN GLY THR PRO MET GLU
SEQRES 7 A 117 ASP VAL LEU HIS SER PHE ALA VAL GLN GLN LEU ARG LYS
SEQRES 8 A 117 SER GLY LYS ILE ALA ALA ILE VAL VAL LYS ARG PRO ARG
SEQRES 9 A 117 LYS VAL GLN VAL ALA PRO LEU SER GLY PRO SER SER GLY
HELIX 1 1 PRO A 58 LEU A 63 1 6
HELIX 2 2 LEU A 81 SER A 92 1 12
SHEET 1 A 3 VAL A 11 GLN A 21 0
SHEET 2 A 3 ILE A 95 LYS A 105 -1 O ARG A 102 N GLU A 14
SHEET 3 A 3 ARG A 68 VAL A 72 -1 N MET A 71 O VAL A 99
SHEET 1 B 2 ILE A 30 SER A 33 0
SHEET 2 B 2 VAL A 49 VAL A 53 -1 O VAL A 49 N SER A 33
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