Header list of 1wi2.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WI2
TITLE SOLUTION STRUCTURE OF THE PDZ DOMAIN FROM RIKEN CDNA 2700099C19
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIKEN CDNA 2700099C19;
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: RIKEN CDNA 2700099C19;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030203-31;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,
KEYWDS 2 RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.SEIMIYA,T.TOMIZAWA,T.KIGAWA,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WI2 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WI2 1 VERSN
REVDAT 1 28-NOV-04 1WI2 0
JRNL AUTH K.SEIMIYA,T.TOMIZAWA,T.KIGAWA,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PDZ DOMAIN FROM RIKEN CDNA
JRNL TITL 2 2700099C19
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 1WI2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023601.
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 : 0.41MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 1MM D-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
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, NMRPIPE 2002045,
REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.8996,
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 O GLY A 30 H ILE A 49 1.50
REMARK 500 O SER A 79 H GLU A 83 1.55
REMARK 500 H VAL A 68 O VAL A 71 1.55
REMARK 500 O ASP A 53 H ALA A 57 1.58
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 GLU A 10 84.50 -159.53
REMARK 500 1 GLN A 13 -63.34 -147.41
REMARK 500 1 PHE A 14 26.24 -161.16
REMARK 500 1 LYS A 23 112.11 57.30
REMARK 500 1 GLN A 28 73.08 -150.95
REMARK 500 1 LEU A 29 -82.33 59.80
REMARK 500 1 LYS A 37 -57.07 -145.46
REMARK 500 1 ALA A 38 -45.96 -161.51
REMARK 500 1 SER A 39 -73.31 -50.11
REMARK 500 1 GLN A 40 -58.92 177.25
REMARK 500 1 LEU A 41 -158.29 40.44
REMARK 500 1 ASP A 51 49.66 157.64
REMARK 500 1 GLU A 61 99.87 -46.46
REMARK 500 1 ASP A 63 98.01 -52.50
REMARK 500 1 ASP A 70 -50.38 83.47
REMARK 500 1 LYS A 86 -75.14 -53.43
REMARK 500 1 SER A 92 72.73 -155.58
REMARK 500 1 SER A 102 95.95 52.97
REMARK 500 2 SER A 2 108.55 -165.74
REMARK 500 2 GLN A 13 -45.06 -157.50
REMARK 500 2 PHE A 14 34.81 -150.57
REMARK 500 2 ALA A 27 -169.56 -117.37
REMARK 500 2 LEU A 29 -80.01 -39.47
REMARK 500 2 ALA A 38 -65.48 -155.46
REMARK 500 2 SER A 39 -90.73 -38.40
REMARK 500 2 GLN A 40 -70.07 -148.15
REMARK 500 2 LEU A 41 -161.87 41.70
REMARK 500 2 ASP A 51 45.88 155.66
REMARK 500 2 LYS A 86 -73.07 -47.82
REMARK 500 2 ALA A 88 106.12 -42.85
REMARK 500 2 PHE A 98 60.53 -109.04
REMARK 500 2 SER A 99 -36.96 179.92
REMARK 500 3 SER A 5 105.77 58.38
REMARK 500 3 GLU A 10 75.13 -101.27
REMARK 500 3 GLN A 13 -44.52 -155.06
REMARK 500 3 PHE A 14 50.32 -156.07
REMARK 500 3 LEU A 15 158.08 -47.39
REMARK 500 3 PRO A 16 -167.71 -74.92
REMARK 500 3 LYS A 23 110.53 57.36
REMARK 500 3 GLN A 28 69.35 -154.78
REMARK 500 3 LEU A 29 -81.56 61.02
REMARK 500 3 LYS A 37 -74.82 -166.24
REMARK 500 3 ALA A 38 -60.40 -123.91
REMARK 500 3 SER A 39 -84.74 -47.49
REMARK 500 3 GLN A 40 -62.33 -175.79
REMARK 500 3 LEU A 41 -156.07 44.97
REMARK 500 3 ILE A 45 90.30 -69.25
REMARK 500 3 ASP A 51 42.89 163.71
REMARK 500 3 GLU A 61 100.85 -50.17
REMARK 500 3 ASP A 70 -51.45 82.51
REMARK 500
REMARK 500 THIS ENTRY HAS 380 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007003102.1 RELATED DB: TARGETDB
DBREF 1WI2 A 8 98 UNP Q9CZG9 PDK11_MOUSE 37 127
SEQADV 1WI2 GLY A 1 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 2 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 3 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 GLY A 4 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 5 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 6 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 GLY A 7 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 99 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 GLY A 100 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 PRO A 101 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 102 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 SER A 103 UNP Q9CZG9 CLONING ARTIFACT
SEQADV 1WI2 GLY A 104 UNP Q9CZG9 CLONING ARTIFACT
SEQRES 1 A 104 GLY SER SER GLY SER SER GLY ASN ASN GLU LEU THR GLN
SEQRES 2 A 104 PHE LEU PRO ARG ILE VAL THR LEU LYS LYS PRO PRO GLY
SEQRES 3 A 104 ALA GLN LEU GLY PHE ASN ILE ARG GLY GLY LYS ALA SER
SEQRES 4 A 104 GLN LEU GLY ILE PHE ILE SER LYS VAL ILE PRO ASP SER
SEQRES 5 A 104 ASP ALA HIS ARG ALA GLY LEU GLN GLU GLY ASP GLN VAL
SEQRES 6 A 104 LEU ALA VAL ASN ASP VAL ASP PHE GLN ASP ILE GLU HIS
SEQRES 7 A 104 SER LYS ALA VAL GLU ILE LEU LYS THR ALA ARG GLU ILE
SEQRES 8 A 104 SER MET ARG VAL ARG PHE PHE SER GLY PRO SER SER GLY
HELIX 1 1 SER A 52 GLY A 58 1 7
HELIX 2 2 GLU A 77 ALA A 88 1 12
SHEET 1 A 4 ARG A 17 LEU A 21 0
SHEET 2 A 4 ILE A 91 ARG A 96 -1 O VAL A 95 N ARG A 17
SHEET 3 A 4 GLN A 64 VAL A 68 -1 N LEU A 66 O ARG A 94
SHEET 4 A 4 VAL A 71 ASP A 72 -1 O VAL A 71 N VAL A 68
SHEET 1 B 2 PHE A 31 ARG A 34 0
SHEET 2 B 2 PHE A 44 VAL A 48 -1 O LYS A 47 N ASN A 32
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