Header list of 1bcv.pdb file
Complete list - 29 20 Bytes
HEADER SYNTHETIC PEPTIDE 03-MAY-98 1BCV TITLE SYNTHETIC PEPTIDE CORRESPONDING TO THE MAJOR IMMUNOGEN SITE OF FMD TITLE 2 VIRUS, NMR, 10 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: PEPTIDE CORRESPONDING TO THE MAJOR IMMUNOGEN SITE OF FMD COMPND 3 VIRUS; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1 KEYWDS SYNTHETIC PEPTIDE, ANTIGENE EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR M.C.PETIT,N.BENKIRANE,G.GUICHARD,A.PHAN CHAN DU,M.T.CUNG,J.P.BRIAND, AUTHOR 2 S.MULLER REVDAT 4 29-NOV-17 1BCV 1 REMARK HELIX REVDAT 3 24-FEB-09 1BCV 1 VERSN REVDAT 2 13-JAN-99 1BCV 1 SOURCE COMPND REMARK TITLE REVDAT 1 25-NOV-98 1BCV 0 JRNL AUTH M.C.PETIT,N.BENKIRANE,G.GUICHARD,A.P.DU,M.MARRAUD,M.T.CUNG, JRNL AUTH 2 J.P.BRIAND,S.MULLER JRNL TITL SOLUTION STRUCTURE OF A RETRO-INVERSO PEPTIDE ANALOGUE JRNL TITL 2 MIMICKING THE FOOT-AND-MOUTH DISEASE VIRUS MAJOR ANTIGENIC JRNL TITL 3 SITE. STRUCTURAL BASIS FOR ITS ANTIGENIC CROSS-REACTIVITY JRNL TITL 4 WITH THE PARENT PEPTIDE. JRNL REF J.BIOL.CHEM. V. 274 3686 1999 JRNL REFN ISSN 0021-9258 JRNL PMID 9920919 JRNL DOI 10.1074/JBC.274.6.3686 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA REMARK 3 AUTHORS : GUNTERT,WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RESTRAINED ENERGY REFINEMENT. REMARK 4 REMARK 4 1BCV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000171602. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 285 REMARK 210 PH : 5.7 REMARK 210 IONIC STRENGTH : 0.1M PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; TOCSY; ROESY; NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ REMARK 210 SPECTROMETER MODEL : DRX400 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA-1.4 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION 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 SER A 142 59.47 -99.15 REMARK 500 1 VAL A 144 116.49 175.11 REMARK 500 1 ALA A 156 -46.25 -139.59 REMARK 500 2 SER A 142 173.49 -51.61 REMARK 500 2 VAL A 144 116.47 175.10 REMARK 500 2 ALA A 156 -46.25 -139.55 REMARK 500 3 VAL A 144 116.43 175.03 REMARK 500 3 ASP A 147 159.86 -47.36 REMARK 500 3 ARG A 154 71.12 -111.01 REMARK 500 3 ALA A 156 -46.25 -139.58 REMARK 500 4 VAL A 144 116.49 175.07 REMARK 500 4 ARG A 145 112.61 -39.81 REMARK 500 4 ALA A 156 -46.17 -139.62 REMARK 500 5 VAL A 144 116.46 175.09 REMARK 500 5 ARG A 145 107.71 -166.49 REMARK 500 5 ALA A 156 -46.23 -139.68 REMARK 500 6 SER A 142 59.64 -113.16 REMARK 500 6 VAL A 144 116.47 175.10 REMARK 500 6 PHE A 148 172.44 -46.61 REMARK 500 6 ALA A 156 -46.21 -139.61 REMARK 500 7 VAL A 144 116.49 175.07 REMARK 500 7 PHE A 148 158.69 -41.69 REMARK 500 7 LEU A 151 165.08 -45.06 REMARK 500 7 ALA A 156 -46.20 -139.60 REMARK 500 8 VAL A 144 116.46 175.07 REMARK 500 8 ARG A 154 88.96 -151.83 REMARK 500 8 ALA A 156 -46.26 -139.81 REMARK 500 9 SER A 142 55.22 -151.85 REMARK 500 9 VAL A 144 116.46 175.07 REMARK 500 9 ARG A 145 96.95 -167.82 REMARK 500 9 ALA A 156 -45.90 -140.47 REMARK 500 10 SER A 142 58.93 -167.47 REMARK 500 10 VAL A 144 116.48 175.06 REMARK 500 10 ARG A 145 106.06 -56.49 REMARK 500 10 ALA A 156 -45.86 -140.48 REMARK 500 REMARK 500 REMARK: NULL DBREF 1BCV A 141 159 UNP P03308 POLG_FMDVA 864 882 SEQRES 1 A 20 ACE GLY SER GLY VAL ARG GLY ASP PHE GLY SER LEU ALA SEQRES 2 A 20 PRO ARG VAL ALA ARG GLN LEU HET ACE A 140 6 HETNAM ACE ACETYL GROUP FORMUL 1 ACE C2 H4 O LINK C ACE A 140 N GLY A 141 1555 1555 1.33 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 - 29 20 Bytes