Header list of 1ujx.pdb file
Complete list - r 2 2 Bytes
HEADER HYDROLASE,TRANSFERASE 12-AUG-03 1UJX
TITLE THE FORKHEAD ASSOCIATED (FHA) DOMAIN LIKE STRUCTURE FROM MOUSE
TITLE 2 POLYNUCLEOTIDE KINASE 3'-PHOSPHATASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: POLYNUCLEOTIDE KINASE 3'-PHOSPHATASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FHA DOMAIN;
COMPND 5 EC: 3.1.3.32, 2.7.1.78;
COMPND 6 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 1810009G08;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030107-24;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS DNA REPAIR, FHA DOMAIN, POLYNUCLEOTIDE KINASE 3'-PHOSPHATASE, BETA-
KEYWDS 2 SANDWICH, ANTIPARALLEL BETA-SHEETS, PHOSPHOPEPTIDE BINDING MOTIF,
KEYWDS 3 STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, HYDROLASE, TRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.TOMIZAWA,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UJX 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UJX 1 VERSN
REVDAT 1 12-FEB-04 1UJX 0
JRNL AUTH T.TOMIZAWA,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA
JRNL TITL THE FORKHEAD ASSOCIATED (FHA) DOMAIN LIKE STRUCTURE FROM
JRNL TITL 2 MOUSE POLYNUCLEOTIDE KINASE 3'-PHOSPHATASE
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 1.0.7
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UJX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-AUG-03.
REMARK 100 THE DEPOSITION ID IS D_1000005909.
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 : 1.16MM FHA DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE NA(PH 6.0); 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.851, 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, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY, 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 GLN A 20 O THR A 110 1.52
REMARK 500 HE22 GLN A 57 O ASN A 77 1.53
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 5 123.94 64.12
REMARK 500 1 SER A 6 161.58 63.25
REMARK 500 1 SER A 9 135.49 175.17
REMARK 500 1 ARG A 14 -172.84 46.65
REMARK 500 1 THR A 23 159.67 -39.79
REMARK 500 1 GLN A 36 175.57 -53.39
REMARK 500 1 ARG A 55 -35.97 -38.39
REMARK 500 1 SER A 66 29.40 -144.05
REMARK 500 1 VAL A 81 78.01 -103.26
REMARK 500 1 TYR A 101 99.99 -62.21
REMARK 500 1 SER A 118 124.79 67.90
REMARK 500 2 SER A 3 115.77 -174.36
REMARK 500 2 SER A 6 118.66 -171.65
REMARK 500 2 SER A 9 87.73 -153.94
REMARK 500 2 SER A 13 116.34 -164.54
REMARK 500 2 THR A 23 151.84 -39.23
REMARK 500 2 GLN A 36 172.98 -49.48
REMARK 500 2 ARG A 55 -34.14 -38.48
REMARK 500 2 TYR A 101 99.25 -62.53
REMARK 500 2 SER A 117 100.27 -173.10
REMARK 500 3 SER A 2 -58.59 -122.91
REMARK 500 3 SER A 3 78.85 62.66
REMARK 500 3 SER A 6 138.44 61.90
REMARK 500 3 SER A 9 107.75 -43.96
REMARK 500 3 GLN A 10 93.61 -171.02
REMARK 500 3 THR A 23 150.15 -39.98
REMARK 500 3 GLN A 36 168.85 -48.57
REMARK 500 3 ARG A 55 -31.64 -38.58
REMARK 500 3 ARG A 67 69.22 60.21
REMARK 500 3 VAL A 76 -51.34 -120.26
REMARK 500 3 LEU A 96 105.15 -59.17
REMARK 500 3 TYR A 101 99.83 -60.43
REMARK 500 3 SER A 118 97.77 57.77
REMARK 500 4 SER A 3 144.90 63.61
REMARK 500 4 SER A 5 -58.48 -161.48
REMARK 500 4 SER A 9 139.30 -176.18
REMARK 500 4 ARG A 14 178.15 50.83
REMARK 500 4 THR A 23 153.64 -40.23
REMARK 500 4 GLN A 36 -179.87 -51.21
REMARK 500 4 ASP A 50 123.62 -39.04
REMARK 500 4 ASN A 56 58.06 -117.77
REMARK 500 4 VAL A 76 -53.08 -124.25
REMARK 500 4 TYR A 101 99.77 -60.15
REMARK 500 4 SER A 117 -69.27 72.26
REMARK 500 4 SER A 118 84.66 74.57
REMARK 500 5 SER A 2 -58.74 -152.54
REMARK 500 5 SER A 6 109.16 -56.83
REMARK 500 5 MET A 8 119.59 -39.88
REMARK 500 5 LEU A 11 140.45 62.66
REMARK 500 5 ARG A 14 177.37 58.38
REMARK 500
REMARK 500 THIS ENTRY HAS 215 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007020370.1 RELATED DB: TARGETDB
DBREF 1UJX A 8 113 UNP Q9JLV6 PNKP_MOUSE 1 106
SEQADV 1UJX GLY A 1 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 2 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 3 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX GLY A 4 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 5 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 6 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX GLY A 7 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 114 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX GLY A 115 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX PRO A 116 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 117 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX SER A 118 UNP Q9JLV6 CLONING ARTIFACT
SEQADV 1UJX GLY A 119 UNP Q9JLV6 CLONING ARTIFACT
SEQRES 1 A 119 GLY SER SER GLY SER SER GLY MET SER GLN LEU GLY SER
SEQRES 2 A 119 ARG GLY ARG LEU TRP LEU GLN SER PRO THR GLY GLY PRO
SEQRES 3 A 119 PRO PRO ILE PHE LEU PRO SER ASP GLY GLN ALA LEU VAL
SEQRES 4 A 119 LEU GLY ARG GLY PRO LEU THR GLN VAL THR ASP ARG LYS
SEQRES 5 A 119 CYS SER ARG ASN GLN VAL GLU LEU ILE ALA ASP PRO GLU
SEQRES 6 A 119 SER ARG THR VAL ALA VAL LYS GLN LEU GLY VAL ASN PRO
SEQRES 7 A 119 SER THR VAL GLY VAL GLN GLU LEU LYS PRO GLY LEU SER
SEQRES 8 A 119 GLY SER LEU SER LEU GLY ASP VAL LEU TYR LEU VAL ASN
SEQRES 9 A 119 GLY LEU TYR PRO LEU THR LEU ARG TRP SER GLY PRO SER
SEQRES 10 A 119 SER GLY
SHEET 1 A 2 LEU A 17 GLN A 20 0
SHEET 2 A 2 THR A 110 TRP A 113 -1 O THR A 110 N GLN A 20
SHEET 1 B 4 LEU A 38 LEU A 40 0
SHEET 2 B 4 VAL A 58 ASP A 63 -1 O LEU A 60 N LEU A 38
SHEET 3 B 4 THR A 68 GLN A 73 -1 O THR A 68 N ASP A 63
SHEET 4 B 4 SER A 91 SER A 95 -1 O GLY A 92 N VAL A 71
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