Header list of 2baf.pdb file
Complete list - r 9 2 Bytes
HEADER BLOOD CLOTTING 14-OCT-05 2BAF
TITLE BOVINE FIBRINOGEN ALPHA-C DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FIBRINOGEN ALPHA CHAIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ALPHA-C DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913;
SOURCE 5 GENE: FGA;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS FIBRINOGEN, BETA HAIRPIN, BLOOD CLOTTING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR R.A.BURTON
REVDAT 3 09-MAR-22 2BAF 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2BAF 1 VERSN
REVDAT 1 28-FEB-06 2BAF 0
JRNL AUTH R.A.BURTON,G.TSURUPA,L.MEDVED,N.TJANDRA
JRNL TITL IDENTIFICATION OF AN ORDERED COMPACT STRUCTURE WITHIN THE
JRNL TITL 2 RECOMBINANT BOVINE FIBRINOGEN ALPHAC-DOMAIN FRAGMENT BY NMR.
JRNL REF BIOCHEMISTRY V. 45 2257 2006
JRNL REFN ISSN 0006-2960
JRNL PMID 16475814
JRNL DOI 10.1021/BI052380C
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2BAF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-OCT-05.
REMARK 100 THE DEPOSITION ID IS D_1000034875.
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 : 150MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.2MM FIBRIN ALPHA-C U-15N,13C
REMARK 210 10MM PHOSPHATE BUFFER, PH 6.0
REMARK 210 150MM NACL 90% H20, 10% D20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 300
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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 O LYS A 57 HG1 THR A 69 1.48
REMARK 500 HH21 ARG A 104 OD1 ASP A 108 1.55
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 PHE A 4 -94.49 50.93
REMARK 500 1 ARG A 5 19.62 -149.69
REMARK 500 1 GLU A 7 -25.34 -152.87
REMARK 500 1 SER A 9 57.03 -169.81
REMARK 500 1 VAL A 10 69.47 -65.17
REMARK 500 1 PHE A 18 47.88 -157.27
REMARK 500 1 HIS A 19 177.69 53.82
REMARK 500 1 THR A 26 -100.13 -63.32
REMARK 500 1 LYS A 30 6.80 -153.11
REMARK 500 1 GLU A 31 4.38 -172.85
REMARK 500 1 LEU A 33 6.63 -68.58
REMARK 500 1 ILE A 34 153.50 -48.39
REMARK 500 1 LYS A 38 174.28 53.23
REMARK 500 1 THR A 40 -126.52 -160.77
REMARK 500 1 THR A 45 -45.43 -147.34
REMARK 500 1 SER A 50 -150.69 -59.82
REMARK 500 1 CYS A 51 -100.69 50.84
REMARK 500 1 SER A 52 -165.35 -71.81
REMARK 500 1 ASP A 63 8.55 -68.17
REMARK 500 1 LYS A 70 67.48 -65.44
REMARK 500 1 LYS A 74 -175.47 -56.40
REMARK 500 1 ASP A 77 22.41 -156.63
REMARK 500 1 ASP A 80 36.84 -157.87
REMARK 500 1 CYS A 81 -71.10 -150.16
REMARK 500 1 ALA A 84 70.83 53.38
REMARK 500 1 ASP A 85 -57.17 -168.18
REMARK 500 1 PHE A 86 -88.58 52.00
REMARK 500 1 HIS A 89 -33.69 -168.95
REMARK 500 1 HIS A 90 179.35 53.03
REMARK 500 1 PRO A 93 -70.23 -58.03
REMARK 500 1 SER A 94 101.82 -171.54
REMARK 500 1 ASN A 97 -63.57 -173.60
REMARK 500 1 LEU A 98 -150.79 58.58
REMARK 500 1 PHE A 102 -19.74 -167.28
REMARK 500 1 ASP A 105 -95.77 -51.23
REMARK 500 1 PHE A 110 94.10 -64.71
REMARK 500 1 THR A 111 -160.04 -75.41
REMARK 500 1 HIS A 115 46.66 -72.44
REMARK 500 1 GLU A 116 -148.96 -65.62
REMARK 500 1 PHE A 117 70.51 -151.11
REMARK 500 1 ARG A 120 -18.13 -168.86
REMARK 500 1 PHE A 127 97.99 -59.83
REMARK 500 1 ALA A 129 -88.18 -167.39
REMARK 500 1 LEU A 130 -70.62 -60.72
REMARK 500 1 GLU A 132 0.91 -65.22
REMARK 500 1 SER A 133 -145.86 -62.68
REMARK 500 1 SER A 135 46.16 -169.55
REMARK 500 1 SER A 138 -20.12 -166.39
REMARK 500 1 SER A 141 -94.10 -175.34
REMARK 500 1 LYS A 145 31.15 -75.18
REMARK 500
REMARK 500 THIS ENTRY HAS 1316 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2BAF A 2 166 UNP P02672 FIBA_BOVIN 387 551
SEQADV 2BAF MET A 1 UNP P02672 INITIATING METHIONINE
SEQRES 1 A 166 MET GLY THR PHE ARG GLU GLU GLY SER VAL SER SER GLY
SEQRES 2 A 166 THR LYS GLN GLU PHE HIS THR GLY LYS LEU VAL THR THR
SEQRES 3 A 166 LYS GLY ASP LYS GLU LEU LEU ILE ASP ASN GLU LYS VAL
SEQRES 4 A 166 THR SER GLY HIS THR THR THR THR ARG ARG SER CYS SER
SEQRES 5 A 166 LYS VAL ILE THR LYS THR VAL THR ASN ALA ASP GLY ARG
SEQRES 6 A 166 THR GLU THR THR LYS GLU VAL VAL LYS SER GLU ASP GLY
SEQRES 7 A 166 SER ASP CYS GLY ASP ALA ASP PHE ASP TRP HIS HIS THR
SEQRES 8 A 166 PHE PRO SER ARG GLY ASN LEU ASP ASP PHE PHE HIS ARG
SEQRES 9 A 166 ASP LYS ASP ASP PHE PHE THR ARG SER SER HIS GLU PHE
SEQRES 10 A 166 ASP GLY ARG THR GLY LEU ALA PRO GLU PHE ALA ALA LEU
SEQRES 11 A 166 GLY GLU SER GLY SER SER SER SER LYS THR SER THR HIS
SEQRES 12 A 166 SER LYS GLN PHE VAL SER SER SER THR THR VAL ASN ARG
SEQRES 13 A 166 GLY GLY SER ALA ILE GLU SER LYS HIS PHE
SHEET 1 A 3 ARG A 48 ARG A 49 0
SHEET 2 A 3 LYS A 53 ILE A 55 -1 O VAL A 54 N ARG A 49
SHEET 3 A 3 GLU A 71 VAL A 73 -1 O VAL A 73 N LYS A 53
SHEET 1 B 2 THR A 58 VAL A 59 0
SHEET 2 B 2 GLU A 67 THR A 68 -1 O GLU A 67 N VAL A 59
SSBOND 1 CYS A 51 CYS A 81 1555 1555 2.02
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