Header list of 1x4r.pdb file
Complete list - r 2 2 Bytes
HEADER APOPTOSIS 14-MAY-05 1X4R
TITLE SOLUTION STRUCTURE OF WWE DOMAIN IN PARP14 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PARP14 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: WWE 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: PARP14;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050111-14;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS WWE DOMAIN, PARP14 PROTEIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL
KEYWDS 2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN
KEYWDS 3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, APOPTOSIS
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR F.HE,Y.MUTO,M.INOUE,T.KIGAWA,M.SHIROUZU,T.TERADA,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1X4R 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X4R 1 VERSN
REVDAT 1 14-NOV-05 1X4R 0
JRNL AUTH F.HE,Y.MUTO,M.INOUE,T.KIGAWA,M.SHIROUZU,T.TERADA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF WWE DOMAIN IN PARP14 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), GUNTERT,P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1X4R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024377.
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 : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8MM U-15, 13C; 20MM PHOSPHATE
REMARK 210 BUFFER NA; 100MM NACL; 1MM D-DTT;
REMARK 210 0.02% NAN3; 90%H 2O,10% 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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.863, 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
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 6 -60.65 -133.83
REMARK 500 1 SER A 9 -63.53 -101.65
REMARK 500 1 ILE A 10 109.68 -42.56
REMARK 500 1 ARG A 11 166.96 -48.29
REMARK 500 1 ALA A 13 48.78 -82.20
REMARK 500 1 LYS A 14 -40.16 -132.47
REMARK 500 1 LYS A 34 -72.00 -28.95
REMARK 500 1 PRO A 80 1.21 -69.77
REMARK 500 2 LYS A 8 -60.93 -126.50
REMARK 500 2 LEU A 12 118.29 -38.94
REMARK 500 2 GLU A 17 -30.24 -37.64
REMARK 500 2 THR A 25 -33.50 -34.69
REMARK 500 2 LYS A 34 -70.92 -29.70
REMARK 500 2 ASN A 75 54.98 71.60
REMARK 500 2 PRO A 80 1.93 -69.80
REMARK 500 3 SER A 5 -50.69 -122.16
REMARK 500 3 GLU A 17 -29.74 -37.60
REMARK 500 3 THR A 25 -35.79 -33.58
REMARK 500 3 LYS A 34 -73.94 -27.93
REMARK 500 3 LYS A 42 -25.33 -39.01
REMARK 500 3 ASN A 75 53.57 71.15
REMARK 500 3 PRO A 80 3.13 -69.78
REMARK 500 4 LYS A 8 139.81 -34.41
REMARK 500 4 ALA A 13 -75.38 -109.80
REMARK 500 4 LYS A 34 -72.56 -29.07
REMARK 500 4 ASN A 75 53.73 71.31
REMARK 500 4 PRO A 80 3.85 -69.78
REMARK 500 4 SER A 94 98.63 -65.87
REMARK 500 4 PRO A 96 87.98 -69.74
REMARK 500 5 GLU A 17 -35.99 -39.85
REMARK 500 5 ILE A 23 -60.08 -94.89
REMARK 500 5 THR A 25 -31.52 -35.17
REMARK 500 5 LYS A 34 -70.98 -30.13
REMARK 500 5 PRO A 80 2.45 -69.76
REMARK 500 5 ALA A 93 122.95 -174.90
REMARK 500 6 LYS A 8 41.60 -98.97
REMARK 500 6 ILE A 10 40.13 -100.14
REMARK 500 6 TYR A 22 -38.49 -34.93
REMARK 500 6 LYS A 34 -72.16 -29.02
REMARK 500 6 LEU A 48 -68.83 -93.52
REMARK 500 6 ASP A 58 149.37 -170.61
REMARK 500 6 ASN A 75 48.42 74.81
REMARK 500 6 PRO A 80 3.26 -69.77
REMARK 500 6 SER A 94 106.71 -53.94
REMARK 500 6 PRO A 96 2.78 -69.77
REMARK 500 7 SER A 6 125.65 -173.93
REMARK 500 7 LYS A 8 -33.69 -134.73
REMARK 500 7 LYS A 14 50.24 32.94
REMARK 500 7 GLU A 17 -35.08 -37.00
REMARK 500 7 LYS A 34 -72.08 -28.51
REMARK 500
REMARK 500 THIS ENTRY HAS 150 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMI002018573.1 RELATED DB: TARGETDB
DBREF 1X4R A 8 93 UNP Q8VDT6 Q8VDT6_MOUSE 139 224
SEQADV 1X4R GLY A 1 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 2 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 3 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R GLY A 4 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 5 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 6 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R GLY A 7 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 94 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R GLY A 95 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R PRO A 96 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 97 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R SER A 98 UNP Q8VDT6 CLONING ARTIFACT
SEQADV 1X4R GLY A 99 UNP Q8VDT6 CLONING ARTIFACT
SEQRES 1 A 99 GLY SER SER GLY SER SER GLY LYS SER ILE ARG LEU ALA
SEQRES 2 A 99 LYS GLU LYS GLU SER GLN ALA ASP TYR ILE SER THR TYR
SEQRES 3 A 99 VAL GLU TRP GLN TYR ILE ASP LYS ASN ILE THR GLN CYS
SEQRES 4 A 99 PHE ASP LYS MET THR ASN MET LYS LEU GLU VAL ALA TRP
SEQRES 5 A 99 LYS ALA LYS LYS LYS ASP THR VAL VAL GLN ILE HIS ASN
SEQRES 6 A 99 GLN ASP PHE THR VAL ASP LEU SER THR ASN THR ALA THR
SEQRES 7 A 99 ALA PRO GLN GLY GLN THR PHE THR VAL GLN ARG LEU VAL
SEQRES 8 A 99 LYS ALA SER GLY PRO SER SER GLY
HELIX 1 1 SER A 18 SER A 24 1 7
HELIX 2 2 LYS A 42 LYS A 53 1 12
SHEET 1 A 6 THR A 37 CYS A 39 0
SHEET 2 A 6 GLU A 28 ILE A 32 -1 N TYR A 31 O GLN A 38
SHEET 3 A 6 THR A 84 LEU A 90 -1 O THR A 86 N ILE A 32
SHEET 4 A 6 THR A 76 THR A 78 -1 N ALA A 77 O PHE A 85
SHEET 5 A 6 ASP A 67 ASP A 71 -1 N THR A 69 O THR A 78
SHEET 6 A 6 ASP A 58 GLN A 62 -1 N THR A 59 O VAL A 70
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