Header list of 1b9q.pdb file
Complete list - 6 20 Bytes
HEADER COLLAGEN FACIT XIV 15-FEB-99 1B9Q
TITLE NMR STRUCTURE OF HEPARIN BINDING SITE OF NON COLLAGENOUS DOMAIN I
TITLE 2 (NC1) OF COLLAGEN FACIT XIV
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (COLLAGEN ALPHA 1);
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FRAGMENT 84-116 OF NC1 (HEPARIN BINDING SITE);
COMPND 5 SYNONYM: ALPHA 1 TYPE XIV COLLAGEN;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 4 ORGANISM_TAXID: 32630;
SOURCE 5 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 6 OF THIS PROTEIN IS NATURALLY FOUND EXTRACELLULARLY IN THE EMBRYO OF
SOURCE 7 GALLUS GALLUS (CHICKEN).
KEYWDS COLLAGEN FACIT XIV, HEPARIN-BINDING SITE, NC1
EXPDTA SOLUTION NMR
NUMMDL 19
AUTHOR R.MONTSERRET,G.DELEAGE,F.PENIN
REVDAT 5 06-NOV-19 1B9Q 1 SOURCE JRNL REMARK SEQADV
REVDAT 4 24-FEB-09 1B9Q 1 VERSN
REVDAT 3 01-APR-03 1B9Q 1 JRNL
REVDAT 2 18-JUN-99 1B9Q 1 JRNL
REVDAT 1 25-FEB-99 1B9Q 0
JRNL AUTH R.MONTSERRET,E.AUBERT-FOUCHER,M.J.MCLEISH,J.M.HILL,
JRNL AUTH 2 D.FICHEUX,M.JAQUINOD,M.VAN DER REST,G.DELEAGE,F.PENIN
JRNL TITL STRUCTURAL ANALYSIS OF THE HEPARIN-BINDING SITE OF THE NC1
JRNL TITL 2 DOMAIN OF COLLAGEN XIV BY CD AND NMR.
JRNL REF BIOCHEMISTRY V. 38 6479 1999
JRNL REFN ISSN 0006-2960
JRNL PMID 10350466
JRNL DOI 10.1021/BI9900222
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.GIRY-LOZINGUEZ,E.AUBERT-FOUCHER,F.PENIN,G.DELEAGE,
REMARK 1 AUTH 2 B.DUBLET,M.VAN DER REST
REMARK 1 TITL IDENTIFICATION AND CHARACTERIZATION OF A HEPARIN BINDING
REMARK 1 TITL 2 SITE WITHIN THE NC1 DOMAIN OF CHICKEN COLLAGEN XIV
REMARK 1 REF MATRIX BIOL. V. 17 145 1998
REMARK 1 REFN ISSN 0945-053X
REMARK 1 PMID 9694594
REMARK 1 DOI 10.1016/S0945-053X(98)90027-0
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1B9Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-FEB-99.
REMARK 100 THE DEPOSITION ID IS D_1000000487.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 19
REMARK 210 CONFORMERS, SELECTION CRITERIA : NO RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 ILE A 10 -46.74 74.87
REMARK 500 1 LYS A 28 -70.75 -131.34
REMARK 500 1 LYS A 33 -123.33 56.67
REMARK 500 2 VAL A 3 24.60 42.11
REMARK 500 2 LEU A 5 18.39 51.78
REMARK 500 2 ARG A 6 25.15 -165.50
REMARK 500 2 HIS A 27 19.72 50.50
REMARK 500 2 ARG A 29 -41.91 -173.53
REMARK 500 2 LYS A 33 161.24 64.59
REMARK 500 3 ALA A 2 58.17 -161.88
REMARK 500 3 ARG A 6 -42.90 -162.19
REMARK 500 3 SER A 7 81.10 44.60
REMARK 500 3 ILE A 10 -22.76 69.24
REMARK 500 4 VAL A 3 7.55 57.85
REMARK 500 4 ASN A 31 53.46 -105.41
REMARK 500 4 LYS A 33 -38.85 -177.82
REMARK 500 5 ALA A 2 -164.61 58.15
REMARK 500 5 VAL A 3 -40.36 69.80
REMARK 500 5 ARG A 6 39.94 -158.27
REMARK 500 5 ASN A 31 47.80 -96.93
REMARK 500 6 ALA A 2 51.95 -161.07
REMARK 500 6 SER A 7 131.87 67.44
REMARK 500 6 ALA A 32 -115.90 47.89
REMARK 500 7 LEU A 5 29.58 43.05
REMARK 500 7 LYS A 28 -60.50 -109.91
REMARK 500 7 ALA A 32 -63.12 69.06
REMARK 500 8 VAL A 3 31.99 -92.53
REMARK 500 8 ARG A 6 -36.18 -161.64
REMARK 500 8 ASN A 31 51.60 -102.90
REMARK 500 9 GLU A 4 48.39 -94.35
REMARK 500 9 LEU A 5 33.80 -155.69
REMARK 500 9 SER A 7 145.57 66.46
REMARK 500 9 PRO A 8 -78.51 -80.30
REMARK 500 9 GLU A 26 -62.37 -109.31
REMARK 500 9 HIS A 27 -73.62 -44.38
REMARK 500 9 ASN A 31 43.25 -95.54
REMARK 500 9 LYS A 33 -58.80 -167.18
REMARK 500 10 ARG A 6 -57.67 -154.48
REMARK 500 10 ILE A 10 -46.67 77.01
REMARK 500 10 ASN A 31 45.97 -105.11
REMARK 500 10 ALA A 32 -156.84 -99.77
REMARK 500 10 LYS A 33 44.13 -107.18
REMARK 500 11 VAL A 3 17.46 47.15
REMARK 500 11 LEU A 5 9.53 56.29
REMARK 500 11 ARG A 6 38.57 -176.80
REMARK 500 11 PRO A 8 48.81 -80.69
REMARK 500 11 ILE A 10 90.84 61.06
REMARK 500 11 SER A 11 -54.88 -147.65
REMARK 500 11 ARG A 29 -48.36 -155.77
REMARK 500 12 ARG A 6 60.76 -158.42
REMARK 500
REMARK 500 THIS ENTRY HAS 82 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 6 0.28 SIDE CHAIN
REMARK 500 1 ARG A 12 0.31 SIDE CHAIN
REMARK 500 1 ARG A 14 0.29 SIDE CHAIN
REMARK 500 1 ARG A 15 0.32 SIDE CHAIN
REMARK 500 1 ARG A 20 0.31 SIDE CHAIN
REMARK 500 1 ARG A 29 0.31 SIDE CHAIN
REMARK 500 2 ARG A 6 0.31 SIDE CHAIN
REMARK 500 2 ARG A 12 0.31 SIDE CHAIN
REMARK 500 2 ARG A 14 0.31 SIDE CHAIN
REMARK 500 2 ARG A 15 0.31 SIDE CHAIN
REMARK 500 2 ARG A 20 0.32 SIDE CHAIN
REMARK 500 2 ARG A 29 0.31 SIDE CHAIN
REMARK 500 3 ARG A 6 0.31 SIDE CHAIN
REMARK 500 3 ARG A 12 0.31 SIDE CHAIN
REMARK 500 3 ARG A 14 0.31 SIDE CHAIN
REMARK 500 3 ARG A 15 0.32 SIDE CHAIN
REMARK 500 3 ARG A 20 0.32 SIDE CHAIN
REMARK 500 3 ARG A 29 0.29 SIDE CHAIN
REMARK 500 4 ARG A 6 0.32 SIDE CHAIN
REMARK 500 4 ARG A 12 0.31 SIDE CHAIN
REMARK 500 4 ARG A 14 0.30 SIDE CHAIN
REMARK 500 4 ARG A 15 0.26 SIDE CHAIN
REMARK 500 4 ARG A 20 0.31 SIDE CHAIN
REMARK 500 4 ARG A 29 0.30 SIDE CHAIN
REMARK 500 5 ARG A 6 0.32 SIDE CHAIN
REMARK 500 5 ARG A 12 0.30 SIDE CHAIN
REMARK 500 5 ARG A 14 0.31 SIDE CHAIN
REMARK 500 5 ARG A 15 0.32 SIDE CHAIN
REMARK 500 5 ARG A 20 0.30 SIDE CHAIN
REMARK 500 5 ARG A 29 0.30 SIDE CHAIN
REMARK 500 6 ARG A 6 0.18 SIDE CHAIN
REMARK 500 6 ARG A 12 0.28 SIDE CHAIN
REMARK 500 6 ARG A 14 0.32 SIDE CHAIN
REMARK 500 6 ARG A 15 0.30 SIDE CHAIN
REMARK 500 6 ARG A 20 0.32 SIDE CHAIN
REMARK 500 6 ARG A 29 0.30 SIDE CHAIN
REMARK 500 7 ARG A 6 0.31 SIDE CHAIN
REMARK 500 7 ARG A 12 0.29 SIDE CHAIN
REMARK 500 7 ARG A 14 0.29 SIDE CHAIN
REMARK 500 7 ARG A 15 0.32 SIDE CHAIN
REMARK 500 7 ARG A 20 0.30 SIDE CHAIN
REMARK 500 7 ARG A 29 0.27 SIDE CHAIN
REMARK 500 8 ARG A 6 0.32 SIDE CHAIN
REMARK 500 8 ARG A 12 0.32 SIDE CHAIN
REMARK 500 8 ARG A 14 0.31 SIDE CHAIN
REMARK 500 8 ARG A 15 0.32 SIDE CHAIN
REMARK 500 8 ARG A 20 0.32 SIDE CHAIN
REMARK 500 8 ARG A 29 0.32 SIDE CHAIN
REMARK 500 9 ARG A 6 0.31 SIDE CHAIN
REMARK 500 9 ARG A 12 0.32 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 114 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1B9Q A 1 34 UNP P32018 COEA1_CHICK 1852 1885
SEQADV 1B9Q CYS A 1 UNP P32018 GLU 1852 ENGINEERED MUTATION
SEQRES 1 A 34 CYS ALA VAL GLU LEU ARG SER PRO GLY ILE SER ARG PHE
SEQRES 2 A 34 ARG ARG LYS ILE ALA LYS ARG SER ILE LYS THR LEU GLU
SEQRES 3 A 34 HIS LYS ARG GLU ASN ALA LYS GLU
HELIX 1 1 SER A 11 ARG A 29 1 19
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 - 6 20 Bytes