Header list of 1x4x.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-MAY-05 1X4X
TITLE SOLUTION STRUCTURE OF THE 6TH FIBRONECTIN TYPE III DOMAIN FROM HUMAN
TITLE 2 FIBRONECTIN TYPE III DOMAIN CONTAINING PROTEIN 3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FIBRONECTIN TYPE-III DOMAIN CONTAINING PROTEIN 3A;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FIBRONECTIN TYPE III (FN3) 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: FNDC3;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040705-15;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS FIBRONECTIN TYPE III, FN3, IMMUNOGLOBULIN-LIKE BETA-SANDWICH FOLD,
KEYWDS 2 KIAA0970, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN
KEYWDS 3 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1X4X 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X4X 1 VERSN
REVDAT 1 15-NOV-05 1X4X 0
JRNL AUTH T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE 6TH FIBRONECTIN TYPE III DOMAIN
JRNL TITL 2 FROM HUMAN FIBRONECTIN TYPE III DOMAIN CONTAINING PROTEIN 3
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1X4X 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_1000024383.
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 : 0.66MM FN3 DOMAIN U-15N,13C;
REMARK 210 20MM D-TRIS-HCL; 200MM NACL; 1MM
REMARK 210 D-DTT; 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 0.9295, 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 LOWEST ENERGY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 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 CYS A 18 91.94 -49.91
REMARK 500 1 LEU A 32 77.83 -69.62
REMARK 500 2 SER A 5 57.35 -98.78
REMARK 500 2 PRO A 8 -179.28 -69.73
REMARK 500 2 GLN A 10 152.08 -44.13
REMARK 500 2 SER A 20 -177.67 -171.00
REMARK 500 2 PRO A 31 -169.19 -69.85
REMARK 500 2 ASN A 34 50.49 -95.60
REMARK 500 2 ILE A 54 108.41 -59.08
REMARK 500 2 SER A 90 174.55 -59.45
REMARK 500 2 SER A 104 139.92 -39.18
REMARK 500 2 SER A 105 118.20 -168.50
REMARK 500 3 CYS A 18 95.84 -44.79
REMARK 500 3 PRO A 31 -164.60 -69.71
REMARK 500 3 LEU A 32 68.15 -107.36
REMARK 500 3 SER A 62 129.92 -172.24
REMARK 500 3 SER A 90 -177.38 -57.25
REMARK 500 4 PRO A 8 -178.78 -69.76
REMARK 500 4 GLN A 10 157.78 -46.33
REMARK 500 4 CYS A 18 103.38 -55.55
REMARK 500 4 PRO A 31 -170.13 -69.70
REMARK 500 4 SER A 90 178.46 -57.09
REMARK 500 4 PRO A 103 2.76 -69.66
REMARK 500 5 ASN A 34 44.23 -93.98
REMARK 500 5 PRO A 103 91.38 -69.81
REMARK 500 6 SER A 5 -52.57 -125.29
REMARK 500 6 GLN A 10 154.72 -47.82
REMARK 500 6 CYS A 18 100.67 -50.87
REMARK 500 6 PRO A 31 -164.51 -69.84
REMARK 500 6 ASN A 34 83.14 -55.92
REMARK 500 7 SER A 2 41.79 -95.84
REMARK 500 7 PRO A 31 -171.22 -69.74
REMARK 500 7 LEU A 32 49.85 -82.18
REMARK 500 7 SER A 33 104.72 -40.45
REMARK 500 7 VAL A 38 102.31 -56.85
REMARK 500 7 SER A 90 -178.40 -56.73
REMARK 500 7 PRO A 103 94.90 -69.74
REMARK 500 8 SER A 3 115.96 -38.75
REMARK 500 8 PRO A 31 -163.78 -69.73
REMARK 500 8 SER A 33 103.29 -57.91
REMARK 500 8 ASN A 34 37.76 -99.45
REMARK 500 8 PRO A 103 97.39 -69.79
REMARK 500 8 SER A 104 45.46 34.62
REMARK 500 9 SER A 6 32.99 -94.62
REMARK 500 9 PRO A 8 -170.09 -69.78
REMARK 500 9 CYS A 18 89.34 -53.70
REMARK 500 9 PRO A 31 -169.00 -69.77
REMARK 500 9 PRO A 88 -177.31 -69.67
REMARK 500 10 SER A 3 -60.76 -90.96
REMARK 500 10 GLN A 10 157.30 -44.61
REMARK 500
REMARK 500 THIS ENTRY HAS 109 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002100947.2 RELATED DB: TARGETDB
DBREF 1X4X A 8 100 UNP Q9Y2H6 FNDC3_HUMAN 695 787
SEQADV 1X4X GLY A 1 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 2 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 3 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X GLY A 4 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 5 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 6 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X GLY A 7 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 101 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X GLY A 102 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X PRO A 103 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 104 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X SER A 105 UNP Q9Y2H6 CLONING ARTIFACT
SEQADV 1X4X GLY A 106 UNP Q9Y2H6 CLONING ARTIFACT
SEQRES 1 A 106 GLY SER SER GLY SER SER GLY PRO ASP GLN CYS LYS PRO
SEQRES 2 A 106 PRO GLN VAL THR CYS ARG SER ALA THR CYS ALA GLN VAL
SEQRES 3 A 106 ASN TRP GLU VAL PRO LEU SER ASN GLY THR ASP VAL THR
SEQRES 4 A 106 GLU TYR ARG LEU GLU TRP GLY GLY VAL GLU GLY SER MET
SEQRES 5 A 106 GLN ILE CYS TYR CYS GLY PRO GLY LEU SER TYR GLU ILE
SEQRES 6 A 106 LYS GLY LEU SER PRO ALA THR THR TYR TYR CYS ARG VAL
SEQRES 7 A 106 GLN ALA LEU SER VAL VAL GLY ALA GLY PRO PHE SER GLU
SEQRES 8 A 106 VAL VAL ALA CYS VAL THR PRO PRO SER SER GLY PRO SER
SEQRES 9 A 106 SER GLY
SHEET 1 A 3 THR A 17 SER A 20 0
SHEET 2 A 3 CYS A 23 ASN A 27 -1 O GLN A 25 N THR A 17
SHEET 3 A 3 SER A 62 LYS A 66 -1 O ILE A 65 N ALA A 24
SHEET 1 B 4 ILE A 54 GLY A 58 0
SHEET 2 B 4 GLU A 40 GLY A 46 -1 N LEU A 43 O CYS A 55
SHEET 3 B 4 THR A 73 LEU A 81 -1 O ARG A 77 N GLU A 44
SHEET 4 B 4 VAL A 93 VAL A 96 -1 O CYS A 95 N TYR A 74
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