Header list of 2daf.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-05 2DAF
TITLE SOLUTION STRUCTURE OF THE NOVEL IDENTIFIED UBIQUITIN-LIKE DOMAIN IN
TITLE 2 THE HUMAN HYPOTHETICAL PROTEIN FLJ35834
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FLJ35834 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UBIQUITIN-LIKE 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: FLJ35834;
SOURCE 6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P050125-04;
SOURCE 9 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS HYPOTHETICAL PROTEIN FLJ35834, UBIQUITIN-LIKE DOMAIN, STRUCTURAL
KEYWDS 2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND
KEYWDS 3 FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.ZHAO,T.KIGAWA,K.SAITO,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2DAF 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2DAF 1 VERSN
REVDAT 1 14-JUN-06 2DAF 0
JRNL AUTH C.ZHAO,T.KIGAWA,K.SAITO,S.KOSHIBA,M.INOUE,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE NOVEL IDENTIFIED UBIQUITIN-LIKE
JRNL TITL 2 DOMAIN IN THE HUMAN HYPOTHETICAL PROTEIN FLJ35834
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 2DAF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-DEC-05.
REMARK 100 THE DEPOSITION ID IS D_1000025182.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.0
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.29MM UBIQUITIN-LIKE DOMAIN U
REMARK 210 -15N, 13C; 20MM D-TRIS-HCL(PH
REMARK 210 7.0); 100MM NACL; 1MM D-DTT;
REMARK 210 0.02% NAN3; 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 20030801, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9321, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINTED MOLECULAR 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 LEAST RESTRAINT VIOLATIONS
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 GLU A 9 118.25 -171.51
REMARK 500 1 ASP A 44 -32.40 -34.92
REMARK 500 1 PRO A 115 -175.66 -69.69
REMARK 500 1 SER A 116 -178.28 -63.69
REMARK 500 2 SER A 3 139.13 -172.05
REMARK 500 2 ILE A 38 167.18 -46.78
REMARK 500 2 PHE A 46 -64.65 -91.12
REMARK 500 2 THR A 111 -72.00 -34.75
REMARK 500 3 SER A 14 46.27 -106.51
REMARK 500 3 HIS A 45 -38.56 -36.41
REMARK 500 3 SER A 117 122.49 -35.78
REMARK 500 4 GLN A 80 44.63 73.93
REMARK 500 4 ASP A 105 64.28 -108.79
REMARK 500 5 GLU A 12 44.49 38.31
REMARK 500 5 THR A 104 -43.00 -132.38
REMARK 500 5 PRO A 115 -170.10 -69.79
REMARK 500 6 SER A 3 156.95 -40.93
REMARK 500 6 ASP A 13 74.75 -109.87
REMARK 500 6 ILE A 38 175.76 -48.15
REMARK 500 6 ASP A 101 140.67 -36.11
REMARK 500 6 GLN A 108 -34.84 -132.36
REMARK 500 6 PRO A 115 -174.52 -69.66
REMARK 500 7 SER A 2 96.83 -63.54
REMARK 500 7 SER A 3 99.95 -62.41
REMARK 500 7 SER A 14 44.26 -93.88
REMARK 500 7 ILE A 38 152.12 -34.78
REMARK 500 7 LEU A 66 -177.93 -66.75
REMARK 500 7 LEU A 103 31.36 37.63
REMARK 500 7 ILE A 110 126.30 -171.08
REMARK 500 7 SER A 113 101.28 -57.14
REMARK 500 7 SER A 116 134.70 -170.71
REMARK 500 8 GLU A 12 43.10 35.76
REMARK 500 8 ASP A 36 33.43 -99.21
REMARK 500 8 LYS A 43 -73.11 -54.97
REMARK 500 8 LEU A 103 -64.78 -132.07
REMARK 500 8 ASP A 105 54.74 74.03
REMARK 500 8 SER A 113 148.00 -172.94
REMARK 500 8 PRO A 115 -173.54 -69.73
REMARK 500 9 ILE A 38 152.66 -48.47
REMARK 500 9 HIS A 45 -32.18 -38.58
REMARK 500 9 GLU A 70 174.54 -55.31
REMARK 500 9 ASN A 91 79.42 -109.38
REMARK 500 9 PRO A 115 -173.80 -69.74
REMARK 500 10 ILE A 38 165.14 -48.02
REMARK 500 10 ILE A 110 145.59 -170.34
REMARK 500 10 THR A 111 136.43 -36.17
REMARK 500 10 VAL A 112 137.48 -39.61
REMARK 500 11 ILE A 38 176.84 -53.14
REMARK 500 11 ASP A 105 93.97 -62.72
REMARK 500 11 ILE A 109 125.08 -171.87
REMARK 500
REMARK 500 THIS ENTRY HAS 115 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSI002026853.1 RELATED DB: TARGETDB
DBREF 2DAF A 8 112 UNP Q6NUH6 Q6NUH6_HUMAN 121 227
SEQADV 2DAF GLY A 1 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 2 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 3 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF GLY A 4 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 5 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 6 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF GLY A 7 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 113 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF GLY A 114 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF PRO A 115 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 116 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF SER A 117 UNP Q6NUH6 CLONING ARTIFACT
SEQADV 2DAF GLY A 118 UNP Q6NUH6 CLONING ARTIFACT
SEQRES 1 A 118 GLY SER SER GLY SER SER GLY GLN GLU SER VAL GLU ASP
SEQRES 2 A 118 SER LEU ALA THR VAL LYS VAL VAL LEU ILE PRO VAL GLY
SEQRES 3 A 118 GLN GLU ILE VAL ILE PRO PHE LYS VAL ASP THR ILE LEU
SEQRES 4 A 118 LYS TYR LEU LYS ASP HIS PHE SER HIS LEU LEU GLY ILE
SEQRES 5 A 118 PRO HIS SER VAL LEU GLN ILE ARG TYR SER GLY LYS ILE
SEQRES 6 A 118 LEU LYS ASN ASN GLU THR LEU VAL GLN HIS GLY VAL LYS
SEQRES 7 A 118 PRO GLN GLU ILE VAL GLN VAL GLU ILE PHE SER THR ASN
SEQRES 8 A 118 PRO ASP LEU TYR PRO VAL ARG ARG ILE ASP GLY LEU THR
SEQRES 9 A 118 ASP VAL SER GLN ILE ILE THR VAL SER GLY PRO SER SER
SEQRES 10 A 118 GLY
HELIX 1 1 ILE A 38 GLY A 51 1 14
HELIX 2 2 THR A 71 GLY A 76 1 6
SHEET 1 A 5 GLU A 28 PHE A 33 0
SHEET 2 A 5 ALA A 16 LEU A 22 -1 N VAL A 20 O ILE A 29
SHEET 3 A 5 ILE A 82 SER A 89 1 O VAL A 85 N LYS A 19
SHEET 4 A 5 LEU A 57 TYR A 61 -1 N GLN A 58 O PHE A 88
SHEET 5 A 5 LYS A 64 LEU A 66 -1 O LYS A 64 N TYR A 61
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 9 2 Bytes