Header list of 1vb7.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-FEB-04 1VB7
TITLE SOLUTION STRUCTURE OF THE PDZ DOMAIN OF PDZ AND LIM DOMAIN 2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PDZ AND LIM DOMAIN 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 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: CDNA 2310041E13;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030203-89;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN PDZ-LIM PROTEIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR R.HATTA,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1VB7 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1VB7 1 VERSN
REVDAT 1 30-AUG-04 1VB7 0
JRNL AUTH R.HATTA,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PDZ DOMAIN OF PDZ AND LIM DOMAIN 2
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.0.7
REMARK 3 AUTHORS : GUENTERT, P.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VB7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-FEB-04.
REMARK 100 THE DEPOSITION ID IS D_1000006425.
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 : 120
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.28MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 1MM D10-DTT; 0.02% NAN3;
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 : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 6.1C, NMRPIPE 2002045,
REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.860,
REMARK 210 CYANA 1.0.7
REMARK 210 METHOD USED : NULL
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H VAL A 55 O GLN A 84 1.55
REMARK 500 O VAL A 55 H ALA A 62 1.57
REMARK 500
REMARK 500 REMARK: NULL
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 -62.35 77.00
REMARK 500 1 SER A 6 97.36 58.78
REMARK 500 1 PRO A 15 -167.84 -75.01
REMARK 500 1 ILE A 32 99.53 -66.50
REMARK 500 1 ALA A 43 -70.56 -43.31
REMARK 500 1 ALA A 46 -81.63 -66.56
REMARK 500 1 ASP A 47 40.74 173.86
REMARK 500 1 SER A 61 140.20 -38.77
REMARK 500 1 ASN A 64 63.78 -116.94
REMARK 500 1 GLN A 76 36.54 -89.68
REMARK 500 2 PRO A 15 -166.15 -74.99
REMARK 500 2 ALA A 46 -94.04 -67.21
REMARK 500 2 ASP A 47 34.66 -172.63
REMARK 500 2 SER A 61 142.55 -38.74
REMARK 500 2 SER A 93 128.89 -39.45
REMARK 500 3 SER A 2 -58.42 -121.17
REMARK 500 3 PRO A 15 -162.06 -74.96
REMARK 500 3 ARG A 40 28.78 42.53
REMARK 500 3 ALA A 43 -70.64 -51.63
REMARK 500 3 ALA A 46 -94.18 -73.12
REMARK 500 3 ASP A 47 35.52 -172.72
REMARK 500 3 SER A 61 150.45 -44.25
REMARK 500 3 SER A 89 124.50 61.84
REMARK 500 4 SER A 3 94.71 -64.34
REMARK 500 4 SER A 5 -58.11 -135.60
REMARK 500 4 PRO A 15 -161.81 -74.94
REMARK 500 4 ALA A 43 -71.88 -65.27
REMARK 500 4 ALA A 46 -93.90 -70.82
REMARK 500 4 ASP A 47 34.33 -169.40
REMARK 500 4 SER A 61 145.21 -39.94
REMARK 500 4 ASN A 64 55.50 -114.75
REMARK 500 5 SER A 3 93.16 -162.37
REMARK 500 5 PRO A 15 -162.07 -74.97
REMARK 500 5 ALA A 46 -94.41 -74.75
REMARK 500 5 ASP A 47 33.93 -170.48
REMARK 500 5 SER A 61 144.81 -39.41
REMARK 500 5 ASN A 64 61.06 -114.34
REMARK 500 5 SER A 89 132.36 66.93
REMARK 500 5 SER A 92 72.07 -118.27
REMARK 500 6 SER A 2 113.81 -177.34
REMARK 500 6 SER A 5 112.27 59.41
REMARK 500 6 PRO A 15 -166.91 -75.03
REMARK 500 6 ARG A 40 31.29 38.10
REMARK 500 6 ALA A 43 -72.99 -78.55
REMARK 500 6 ALA A 46 -72.34 -60.19
REMARK 500 6 ASP A 47 46.30 163.36
REMARK 500 6 SER A 61 147.96 -39.53
REMARK 500 6 ASN A 64 59.96 -108.40
REMARK 500 6 SER A 92 -59.63 -152.01
REMARK 500 6 SER A 93 124.01 -172.58
REMARK 500
REMARK 500 THIS ENTRY HAS 160 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007020120.1 RELATED DB: TARGETDB
DBREF 1VB7 A 8 88 UNP Q8R1G6 PDLI2_MOUSE 3 83
SEQADV 1VB7 GLY A 1 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 2 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 3 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 GLY A 4 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 5 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 6 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 GLY A 7 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 89 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 GLY A 90 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 PRO A 91 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 92 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 SER A 93 UNP Q8R1G6 CLONING ARTIFACT
SEQADV 1VB7 GLY A 94 UNP Q8R1G6 CLONING ARTIFACT
SEQRES 1 A 94 GLY SER SER GLY SER SER GLY LEU THR VAL ASP VAL ALA
SEQRES 2 A 94 GLY PRO ALA PRO TRP GLY PHE ARG ILE SER GLY GLY ARG
SEQRES 3 A 94 ASP PHE HIS THR PRO ILE ILE VAL THR LYS VAL THR GLU
SEQRES 4 A 94 ARG GLY LYS ALA GLU ALA ALA ASP LEU ARG PRO GLY ASP
SEQRES 5 A 94 ILE ILE VAL ALA ILE ASN GLY GLN SER ALA GLU ASN MET
SEQRES 6 A 94 LEU HIS ALA GLU ALA GLN SER LYS ILE ARG GLN SER ALA
SEQRES 7 A 94 SER PRO LEU ARG LEU GLN LEU ASP ARG SER SER GLY PRO
SEQRES 8 A 94 SER SER GLY
HELIX 1 1 LYS A 42 ASP A 47 1 6
HELIX 2 2 LEU A 66 GLN A 76 1 11
SHEET 1 A 5 LEU A 8 VAL A 12 0
SHEET 2 A 5 LEU A 81 ASP A 86 -1 O LEU A 85 N LEU A 8
SHEET 3 A 5 ILE A 53 ILE A 57 -1 N VAL A 55 O GLN A 84
SHEET 4 A 5 THR A 30 ILE A 33 -1 N ILE A 32 O ILE A 54
SHEET 5 A 5 SER A 23 GLY A 25 -1 N GLY A 25 O THR A 30
SHEET 1 B 4 LEU A 8 VAL A 12 0
SHEET 2 B 4 LEU A 81 ASP A 86 -1 O LEU A 85 N LEU A 8
SHEET 3 B 4 ILE A 53 ILE A 57 -1 N VAL A 55 O GLN A 84
SHEET 4 B 4 GLN A 60 SER A 61 -1 O GLN A 60 N ILE A 57
CISPEP 1 GLY A 14 PRO A 15 1 0.05
CISPEP 2 ALA A 16 PRO A 17 1 -0.03
CISPEP 3 SER A 79 PRO A 80 1 -0.02
CISPEP 4 GLY A 14 PRO A 15 2 0.00
CISPEP 5 ALA A 16 PRO A 17 2 -0.10
CISPEP 6 SER A 79 PRO A 80 2 0.05
CISPEP 7 GLY A 14 PRO A 15 3 -0.03
CISPEP 8 ALA A 16 PRO A 17 3 0.01
CISPEP 9 SER A 79 PRO A 80 3 -0.03
CISPEP 10 GLY A 14 PRO A 15 4 -0.05
CISPEP 11 ALA A 16 PRO A 17 4 -0.04
CISPEP 12 SER A 79 PRO A 80 4 0.02
CISPEP 13 GLY A 14 PRO A 15 5 0.00
CISPEP 14 ALA A 16 PRO A 17 5 0.01
CISPEP 15 SER A 79 PRO A 80 5 -0.03
CISPEP 16 GLY A 14 PRO A 15 6 0.07
CISPEP 17 ALA A 16 PRO A 17 6 0.03
CISPEP 18 SER A 79 PRO A 80 6 -0.04
CISPEP 19 GLY A 14 PRO A 15 7 0.03
CISPEP 20 ALA A 16 PRO A 17 7 -0.05
CISPEP 21 SER A 79 PRO A 80 7 0.03
CISPEP 22 GLY A 14 PRO A 15 8 -0.05
CISPEP 23 ALA A 16 PRO A 17 8 0.03
CISPEP 24 SER A 79 PRO A 80 8 -0.02
CISPEP 25 GLY A 14 PRO A 15 9 0.03
CISPEP 26 ALA A 16 PRO A 17 9 0.05
CISPEP 27 SER A 79 PRO A 80 9 0.03
CISPEP 28 GLY A 14 PRO A 15 10 -0.03
CISPEP 29 ALA A 16 PRO A 17 10 0.05
CISPEP 30 SER A 79 PRO A 80 10 -0.03
CISPEP 31 GLY A 14 PRO A 15 11 -0.04
CISPEP 32 ALA A 16 PRO A 17 11 -0.04
CISPEP 33 SER A 79 PRO A 80 11 -0.01
CISPEP 34 GLY A 14 PRO A 15 12 -0.03
CISPEP 35 ALA A 16 PRO A 17 12 -0.07
CISPEP 36 SER A 79 PRO A 80 12 0.04
CISPEP 37 GLY A 14 PRO A 15 13 -0.05
CISPEP 38 ALA A 16 PRO A 17 13 -0.02
CISPEP 39 SER A 79 PRO A 80 13 0.02
CISPEP 40 GLY A 14 PRO A 15 14 -0.07
CISPEP 41 ALA A 16 PRO A 17 14 0.02
CISPEP 42 SER A 79 PRO A 80 14 0.06
CISPEP 43 GLY A 14 PRO A 15 15 -0.05
CISPEP 44 ALA A 16 PRO A 17 15 -0.05
CISPEP 45 SER A 79 PRO A 80 15 0.02
CISPEP 46 GLY A 14 PRO A 15 16 -0.02
CISPEP 47 ALA A 16 PRO A 17 16 -0.06
CISPEP 48 SER A 79 PRO A 80 16 0.02
CISPEP 49 GLY A 14 PRO A 15 17 0.06
CISPEP 50 ALA A 16 PRO A 17 17 -0.03
CISPEP 51 SER A 79 PRO A 80 17 -0.01
CISPEP 52 GLY A 14 PRO A 15 18 -0.03
CISPEP 53 ALA A 16 PRO A 17 18 -0.01
CISPEP 54 SER A 79 PRO A 80 18 0.00
CISPEP 55 GLY A 14 PRO A 15 19 0.00
CISPEP 56 ALA A 16 PRO A 17 19 0.02
CISPEP 57 SER A 79 PRO A 80 19 -0.07
CISPEP 58 GLY A 14 PRO A 15 20 -0.04
CISPEP 59 ALA A 16 PRO A 17 20 0.01
CISPEP 60 SER A 79 PRO A 80 20 -0.02
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