Header list of 1wfu.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-MAY-04 1WFU
TITLE SOLUTION STRUCTURE OF FIBRONECTIN TYPE III DOMAIN OF MOUSE
TITLE 2 HYPOTHETICAL PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UNNAMED PROTEIN PRODUCT;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FN3 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 4933435J10;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P031222-40;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS FN3 DOMAIN, SIMILAR TO 1700007B22RIK PROTEIN, STRUCTURAL GENOMICS,
KEYWDS 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN
KEYWDS 3 FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WFU 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WFU 1 VERSN
REVDAT 1 27-NOV-04 1WFU 0
JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF FIBRONECTIN TYPE III DOMAIN OF MOUSE
JRNL TITL 2 HYPOTHETICAL 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), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WFU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023533.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 7.5
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.1MM FN3 DOMAIN U-15N, 13C;
REMARK 210 20MM D-TRIS HCL; 100MM NACL; 1MM
REMARK 210 D-DTT; 0.02% NAN3; 10% 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 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.8994, 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 : 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: 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 2 65.88 -112.63
REMARK 500 1 LYS A 12 51.02 34.09
REMARK 500 1 GLN A 40 31.88 -84.00
REMARK 500 1 GLU A 42 135.66 -33.33
REMARK 500 1 LYS A 43 160.82 -39.95
REMARK 500 1 ARG A 44 43.46 -81.58
REMARK 500 1 GLN A 45 115.91 -36.47
REMARK 500 1 HIS A 64 32.56 36.48
REMARK 500 1 VAL A 68 101.59 -57.71
REMARK 500 1 PRO A 97 2.77 -69.68
REMARK 500 1 VAL A 106 136.87 -37.28
REMARK 500 1 THR A 111 -179.44 -65.78
REMARK 500 2 SER A 2 42.06 36.61
REMARK 500 2 LEU A 16 176.68 -53.15
REMARK 500 2 ASP A 37 41.36 -77.26
REMARK 500 2 GLN A 40 38.07 -82.06
REMARK 500 2 LYS A 43 132.29 -34.94
REMARK 500 2 ARG A 44 49.65 -79.53
REMARK 500 2 GLN A 45 160.80 -44.04
REMARK 500 2 VAL A 68 97.19 -66.12
REMARK 500 2 HIS A 77 107.96 -170.44
REMARK 500 2 VAL A 79 105.99 -47.69
REMARK 500 2 PRO A 97 3.27 -69.70
REMARK 500 2 VAL A 106 137.81 -38.77
REMARK 500 2 SER A 115 -63.59 -122.90
REMARK 500 2 SER A 118 94.10 -55.51
REMARK 500 3 MET A 8 -63.51 -108.40
REMARK 500 3 HIS A 11 176.39 -59.25
REMARK 500 3 GLN A 40 49.73 -76.17
REMARK 500 3 LYS A 41 31.28 -91.35
REMARK 500 3 GLN A 45 -71.41 -52.30
REMARK 500 3 HIS A 64 26.98 38.12
REMARK 500 3 HIS A 77 117.25 -161.85
REMARK 500 3 PRO A 97 2.97 -69.72
REMARK 500 3 VAL A 106 139.43 -34.72
REMARK 500 3 GLU A 114 36.95 -89.53
REMARK 500 3 SER A 115 102.95 -38.65
REMARK 500 4 PRO A 10 -177.25 -69.71
REMARK 500 4 GLN A 40 57.12 -101.00
REMARK 500 4 ARG A 44 100.02 -50.44
REMARK 500 4 TRP A 51 157.22 -38.48
REMARK 500 4 HIS A 64 28.77 42.95
REMARK 500 4 HIS A 77 109.06 -166.98
REMARK 500 4 PRO A 97 3.58 -69.78
REMARK 500 5 SER A 2 -53.12 -128.93
REMARK 500 5 SER A 3 147.79 -39.05
REMARK 500 5 PRO A 10 -172.35 -69.76
REMARK 500 5 LYS A 12 25.18 40.10
REMARK 500 5 VAL A 13 145.20 -175.91
REMARK 500 5 ASP A 37 -25.32 -39.51
REMARK 500
REMARK 500 THIS ENTRY HAS 217 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007105997.1 RELATED DB: TARGETDB
DBREF 1WFU A 8 114 UNP Q9DAM9 FANK1_MOUSE 1 107
SEQADV 1WFU GLY A 1 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 2 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 3 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU GLY A 4 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 5 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 6 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU GLY A 7 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 115 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU GLY A 116 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU PRO A 117 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 118 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU SER A 119 UNP Q9DAM9 CLONING ARTIFACT
SEQADV 1WFU GLY A 120 UNP Q9DAM9 CLONING ARTIFACT
SEQRES 1 A 120 GLY SER SER GLY SER SER GLY MET GLU PRO HIS LYS VAL
SEQRES 2 A 120 VAL PRO LEU SER LYS PRO HIS PRO PRO VAL VAL GLY LYS
SEQRES 3 A 120 VAL THR HIS HIS SER ILE GLU LEU TYR TRP ASP LEU GLU
SEQRES 4 A 120 GLN LYS GLU LYS ARG GLN GLY PRO GLN GLU GLN TRP LEU
SEQRES 5 A 120 ARG PHE SER ILE GLU GLU GLU ASP PRO LYS MET HIS SER
SEQRES 6 A 120 TYR GLY VAL ILE TYR THR GLY TYR ALA THR ARG HIS VAL
SEQRES 7 A 120 VAL GLU GLY LEU GLU PRO ARG THR LEU TYR LYS PHE ARG
SEQRES 8 A 120 LEU LYS VAL THR SER PRO SER GLY GLU TYR GLU TYR SER
SEQRES 9 A 120 PRO VAL VAL SER VAL ALA THR THR ARG GLU SER GLY PRO
SEQRES 10 A 120 SER SER GLY
HELIX 1 1 PRO A 47 TRP A 51 5 5
SHEET 1 A 3 VAL A 27 THR A 28 0
SHEET 2 A 3 SER A 31 TYR A 35 -1 O SER A 31 N THR A 28
SHEET 3 A 3 ARG A 76 GLU A 80 -1 O HIS A 77 N LEU A 34
SHEET 1 B 4 TYR A 66 GLY A 72 0
SHEET 2 B 4 ARG A 53 GLU A 59 -1 N PHE A 54 O GLY A 72
SHEET 3 B 4 LEU A 87 THR A 95 -1 O LYS A 93 N SER A 55
SHEET 4 B 4 TYR A 101 TYR A 103 -1 O GLU A 102 N VAL A 94
SHEET 1 C 4 TYR A 66 GLY A 72 0
SHEET 2 C 4 ARG A 53 GLU A 59 -1 N PHE A 54 O GLY A 72
SHEET 3 C 4 LEU A 87 THR A 95 -1 O LYS A 93 N SER A 55
SHEET 4 C 4 VAL A 107 ALA A 110 -1 O VAL A 109 N TYR A 88
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