Header list of 1vvc.pdb file
Complete list - 2 20 Bytes
HEADER COMPLEMENT INHIBITOR 25-JUN-97 1VVC
TITLE C-TERMINAL HALF OF VACCINIA VIRUS COMPLEMENT CONTROL PROTEIN, NMR,
TITLE 2 MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: VACCINIA VIRUS COMPLEMENT CONTROL PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: MODULES 3 AND 4;
COMPND 5 SYNONYM: SP35, VCP, VACCINIA VIRUS SP35;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS;
SOURCE 3 ORGANISM_TAXID: 10245;
SOURCE 4 GENE: C21L;
SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4922;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: GS115;
SOURCE 8 EXPRESSION_SYSTEM_VARIANT: HIS4;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPIC9
KEYWDS COMPLEMENT INHIBITOR, COMPLEMENT MODULE, SCR, SUSHI DOMAIN, MODULE
KEYWDS 2 PAIR
EXPDTA SOLUTION NMR
AUTHOR A.WILES,I.D.CAMPBELL,P.N.BARLOW
REVDAT 3 02-MAR-22 1VVC 1 REMARK
REVDAT 2 24-FEB-09 1VVC 1 VERSN
REVDAT 1 03-DEC-97 1VVC 0
JRNL AUTH A.P.WILES,G.SHAW,J.BRIGHT,A.PERCZEL,I.D.CAMPBELL,P.N.BARLOW
JRNL TITL NMR STUDIES OF A VIRAL PROTEIN THAT MIMICS THE REGULATORS OF
JRNL TITL 2 COMPLEMENT ACTIVATION.
JRNL REF J.MOL.BIOL. V. 272 253 1997
JRNL REFN ISSN 0022-2836
JRNL PMID 9299352
JRNL DOI 10.1006/JMBI.1997.1241
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.84
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION.
REMARK 4
REMARK 4 1VVC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177123.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 4.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N; 1H-NOESY HSQC; 1H-TOCSY
REMARK 210 HSQC; DQF-COSY; HOHAHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ
REMARK 210 SPECTROMETER MODEL : HOME BUILT
REMARK 210 SPECTROMETER MANUFACTURER : HOME BUILT/GE
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : SIMULATE ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : < 2 NOE VIOLATIONS > 0.5 A; NO
REMARK 210 DIHEDRAL ANGLE VIOLATIONS > 5
REMARK 210 DEGREES
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: 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 H SER A 96 O LYS A 115 1.48
REMARK 500 H PHE A 87 O SER A 99 1.48
REMARK 500 O TYR A 70 H LYS A 88 1.49
REMARK 500 O VAL A 27 H VAL A 43 1.56
REMARK 500 H LYS A 94 O VAL A 117 1.56
REMARK 500 O TYR A 21 HG SER A 25 1.56
REMARK 500 H VAL A 85 O SER A 101 1.56
REMARK 500 O LYS A 94 H VAL A 117 1.58
REMARK 500 H SER A 36 O GLN A 57 1.58
REMARK 500 O ILE A 38 H THR A 55 1.59
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 SER A 10 92.40 -39.37
REMARK 500 ASN A 11 26.12 42.26
REMARK 500 ARG A 13 -169.07 -108.61
REMARK 500 TYR A 17 36.83 167.38
REMARK 500 GLU A 18 -179.06 -171.44
REMARK 500 THR A 22 -97.10 46.07
REMARK 500 VAL A 43 -178.56 -64.97
REMARK 500 ASP A 52 66.95 62.17
REMARK 500 GLN A 57 -151.56 -114.54
REMARK 500 LYS A 60 -168.15 -63.48
REMARK 500 HIS A 63 125.62 159.78
REMARK 500 ILE A 66 163.79 179.51
REMARK 500 ASN A 68 42.79 39.65
REMARK 500 TYR A 70 -173.50 -44.57
REMARK 500 SER A 72 25.14 -145.82
REMARK 500 SER A 73 -79.02 -107.91
REMARK 500 TYR A 79 -158.24 -131.51
REMARK 500 SER A 80 -123.15 -150.07
REMARK 500 ASN A 82 -102.16 -159.36
REMARK 500 ASP A 83 75.15 45.34
REMARK 500 LYS A 90 -80.25 -41.35
REMARK 500 CYS A 103 99.41 -65.76
REMARK 500 ASN A 107 87.64 77.83
REMARK 500 THR A 108 -161.63 177.49
REMARK 500 CYS A 116 94.11 -64.94
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 ARG A 13 0.32 SIDE CHAIN
REMARK 500 ARG A 77 0.18 SIDE CHAIN
REMARK 500 ARG A 118 0.22 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VVD RELATED DB: PDB
REMARK 900 RELATED ID: 1VVE RELATED DB: PDB
DBREF 1VVC A 1 118 UNP P68638 VCP_VACCV 146 263
SEQRES 1 A 118 VAL LYS CYS GLN SER PRO PRO SER ILE SER ASN GLY ARG
SEQRES 2 A 118 HIS ASN GLY TYR GLU ASP PHE TYR THR ASP GLY SER VAL
SEQRES 3 A 118 VAL THR TYR SER CYS ASN SER GLY TYR SER LEU ILE GLY
SEQRES 4 A 118 ASN SER GLY VAL LEU CYS SER GLY GLY GLU TRP SER ASP
SEQRES 5 A 118 PRO PRO THR CYS GLN ILE VAL LYS CYS PRO HIS PRO THR
SEQRES 6 A 118 ILE SER ASN GLY TYR LEU SER SER GLY PHE LYS ARG SER
SEQRES 7 A 118 TYR SER TYR ASN ASP ASN VAL ASP PHE LYS CYS LYS TYR
SEQRES 8 A 118 GLY TYR LYS LEU SER GLY SER SER SER SER THR CYS SER
SEQRES 9 A 118 PRO GLY ASN THR TRP LYS PRO GLU LEU PRO LYS CYS VAL
SEQRES 10 A 118 ARG
SHEET 1 A 2 GLY A 12 HIS A 14 0
SHEET 2 A 2 TYR A 29 CYS A 31 -1 N SER A 30 O ARG A 13
SHEET 1 B 2 SER A 36 ILE A 38 0
SHEET 2 B 2 THR A 55 GLN A 57 -1 N GLN A 57 O SER A 36
SHEET 1 C 2 THR A 102 SER A 104 0
SHEET 2 C 2 THR A 108 LYS A 110 -1 N LYS A 110 O THR A 102
SSBOND 1 CYS A 3 CYS A 45 1555 1555 2.02
SSBOND 2 CYS A 31 CYS A 56 1555 1555 2.02
SSBOND 3 CYS A 61 CYS A 103 1555 1555 2.01
SSBOND 4 CYS A 89 CYS A 116 1555 1555 2.02
CISPEP 1 LYS A 110 PRO A 111 0 -0.47
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
Complete list - 2 20 Bytes