Header list of 1wf6.pdb file
Complete list - r 2 2 Bytes
HEADER CELL CYCLE 26-MAY-04 1WF6
TITLE THE THIRD BRCA1 C-TERMINUS (BRCT) DOMAIN OF SIMILAR TO S.POMBE
TITLE 2 RAD4+/CUT5+ PRODUCT
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SIMILAR TO S.POMBE -RAD4+/CUT5+PRODUCT (A40727);
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: BRCA1 C-TURMINUS (BRCT) DOMAIN;
COMPND 5 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: KAZUSA CDNA HA07059;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030506-82;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS BRCT, TOPOISOMERASE II BINDING PROTEIN, CHECKPOINT, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, STRUCTURAL GENOMICS, CELL
KEYWDS 3 CYCLE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WF6 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WF6 1 VERSN
REVDAT 1 26-NOV-04 1WF6 0
JRNL AUTH T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA
JRNL TITL THE THIRD BRCA1 C-TERMINUS (BRCT) DOMAIN OF SIMILAR TO
JRNL TITL 2 S.POMBE RAD4+/CUT5+ PRODUCT
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 1.0.7
REMARK 3 AUTHORS : VARIAN (VNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WF6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-MAY-04.
REMARK 100 THE DEPOSITION ID IS D_1000023512.
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 : 220MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.06MM 13C/15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS, 200MM NACL, 1MM D-
REMARK 210 DTT, AND 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 : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.8992, CYANA 1.0.7
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 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 ARG A 45 H THR A 79 1.49
REMARK 500 H VAL A 83 O VAL A 104 1.57
REMARK 500 O GLU A 111 H LYS A 115 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 SER A 3 131.56 -176.44
REMARK 500 1 LEU A 15 -68.37 -170.11
REMARK 500 1 SER A 17 88.56 42.99
REMARK 500 1 LEU A 19 150.52 60.23
REMARK 500 1 GLU A 24 -30.67 -37.90
REMARK 500 1 ALA A 36 164.61 -42.91
REMARK 500 1 LEU A 41 63.18 -107.25
REMARK 500 1 PHE A 51 161.27 -42.02
REMARK 500 1 SER A 52 -56.54 -162.12
REMARK 500 1 ASP A 57 -34.97 -39.69
REMARK 500 1 LEU A 62 -71.19 -69.26
REMARK 500 1 ASN A 75 -175.71 -173.40
REMARK 500 1 ASP A 85 -49.13 -141.64
REMARK 500 1 LYS A 96 -79.71 -96.19
REMARK 500 1 SER A 130 160.98 68.61
REMARK 500 1 SER A 131 -55.52 -137.99
REMARK 500 2 SER A 3 -165.76 -77.70
REMARK 500 2 SER A 17 122.35 -173.78
REMARK 500 2 GLU A 20 152.95 -39.21
REMARK 500 2 ASN A 28 45.73 -103.82
REMARK 500 2 ALA A 36 166.65 -44.06
REMARK 500 2 LEU A 41 66.47 -104.59
REMARK 500 2 PHE A 51 154.19 -37.52
REMARK 500 2 SER A 52 -68.83 -153.03
REMARK 500 2 ASN A 75 -176.43 157.47
REMARK 500 2 GLU A 76 93.39 -64.36
REMARK 500 2 ASP A 77 -34.72 165.91
REMARK 500 2 ASP A 85 -47.11 -133.54
REMARK 500 2 GLU A 89 -39.44 -37.79
REMARK 500 2 LYS A 96 -83.43 -110.61
REMARK 500 2 TYR A 124 42.48 -140.23
REMARK 500 2 SER A 130 -53.59 -141.05
REMARK 500 2 SER A 131 -59.04 78.45
REMARK 500 3 SER A 2 117.54 -166.49
REMARK 500 3 SER A 10 114.81 64.48
REMARK 500 3 SER A 14 97.40 -161.73
REMARK 500 3 ASN A 16 170.15 -50.23
REMARK 500 3 SER A 17 97.27 -42.44
REMARK 500 3 LYS A 18 108.16 -165.51
REMARK 500 3 GLU A 24 -71.26 -47.13
REMARK 500 3 ASN A 28 36.36 -96.14
REMARK 500 3 ALA A 36 168.61 -44.66
REMARK 500 3 LEU A 41 54.63 -102.36
REMARK 500 3 ASN A 75 -176.46 170.23
REMARK 500 3 GLU A 89 -36.65 -37.58
REMARK 500 3 LYS A 96 -83.25 -101.89
REMARK 500 3 TYR A 124 43.32 -149.85
REMARK 500 3 SER A 130 92.08 41.99
REMARK 500 4 SER A 5 147.10 -178.91
REMARK 500 4 SER A 10 79.13 -166.67
REMARK 500
REMARK 500 THIS ENTRY HAS 295 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002000252.1 RELATED DB: TARGETDB
DBREF 1WF6 A 8 126 UNP Q92547 TOPB1_HUMAN 354 472
SEQADV 1WF6 GLY A 1 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 2 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 3 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 GLY A 4 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 5 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 6 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 GLY A 7 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 127 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 GLY A 128 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 PRO A 129 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 130 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 SER A 131 UNP Q92547 CLONING ARTIFACT
SEQADV 1WF6 GLY A 132 UNP Q92547 CLONING ARTIFACT
SEQRES 1 A 132 GLY SER SER GLY SER SER GLY SER GLU SER ILE CYS ASN
SEQRES 2 A 132 SER LEU ASN SER LYS LEU GLU PRO THR LEU GLU ASN LEU
SEQRES 3 A 132 GLU ASN LEU ASP VAL SER ALA PHE GLN ALA PRO GLU ASP
SEQRES 4 A 132 LEU LEU ASP GLY CYS ARG ILE TYR LEU CYS GLY PHE SER
SEQRES 5 A 132 GLY ARG LYS LEU ASP LYS LEU ARG ARG LEU ILE ASN SER
SEQRES 6 A 132 GLY GLY GLY VAL ARG PHE ASN GLN LEU ASN GLU ASP VAL
SEQRES 7 A 132 THR HIS VAL ILE VAL GLY ASP TYR ASP ASP GLU LEU LYS
SEQRES 8 A 132 GLN PHE TRP ASN LYS SER ALA HIS ARG PRO HIS VAL VAL
SEQRES 9 A 132 GLY ALA LYS TRP LEU LEU GLU CYS PHE SER LYS GLY TYR
SEQRES 10 A 132 MET LEU SER GLU GLU PRO TYR ILE HIS SER GLY PRO SER
SEQRES 11 A 132 SER GLY
HELIX 1 1 THR A 22 LEU A 26 5 5
HELIX 2 2 ASP A 30 PHE A 34 5 5
HELIX 3 3 GLY A 53 GLY A 66 1 14
HELIX 4 4 ASP A 88 SER A 97 1 10
HELIX 5 5 ALA A 106 GLY A 116 1 11
HELIX 6 6 GLU A 121 ILE A 125 5 5
SHEET 1 A 4 VAL A 69 PHE A 71 0
SHEET 2 A 4 ARG A 45 CYS A 49 1 N ILE A 46 O PHE A 71
SHEET 3 A 4 HIS A 80 VAL A 83 1 O HIS A 80 N TYR A 47
SHEET 4 A 4 VAL A 103 GLY A 105 1 O VAL A 104 N VAL A 83
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