Header list of 1bfw.pdb file
Complete list - 29 20 Bytes
HEADER VIRAL PROTEIN 22-MAY-98 1BFW TITLE RETRO-INVERSO ANALOGUE OF THE G-H LOOP OF VP1 IN FOOT-AND-MOUTH- TITLE 2 DISEASE (FMD) VIRUS, NMR, 10 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: VP1 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: THE MAJOR IMMUNOGEN REGION, RESIDUES 141-159; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: RETRO-INVERSO PEPTIDE CORRESPONDING TO THE MAJOR COMPND 7 IMMUNOGEN REGION OF THE FOOT-AND-MOUTH-DISEASE VIRUS CAPSID SOURCE MOL_ID: 1 KEYWDS CAPSID, PEPTIDOMIMETIC, RETRO-INVERSO, FMDV, ANTIGEN, VIRAL PROTEIN 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 3 29-NOV-17 1BFW 1 REMARK HELIX REVDAT 2 24-FEB-09 1BFW 1 VERSN REVDAT 1 13-JAN-99 1BFW 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: RESTRAINT ENERGY MINIMIZATION REMARK 4 REMARK 4 1BFW 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_1000171706. 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 : 0.1 M PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% H2O:10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; TOCSY NOESY; ROESY 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 ANNEALING, MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINTS VIOLATIONS, REMARK 210 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 DGN A 158 72.91 127.25 REMARK 500 1 DAR A 157 70.43 144.31 REMARK 500 1 DAL A 156 -69.39 154.87 REMARK 500 1 DLE A 151 77.82 132.44 REMARK 500 1 DAS A 147 -69.26 165.48 REMARK 500 1 DSN A 142 -99.89 163.99 REMARK 500 2 DAR A 157 70.33 144.44 REMARK 500 2 DAL A 156 -69.92 166.60 REMARK 500 2 DAR A 154 -62.68 170.34 REMARK 500 2 DAL A 152 -98.41 42.67 REMARK 500 2 DLE A 151 55.53 142.64 REMARK 500 2 DSN A 150 -85.71 152.73 REMARK 500 2 DAS A 147 -66.18 165.88 REMARK 500 2 DAR A 145 -116.76 170.52 REMARK 500 2 DVA A 144 -98.66 69.41 REMARK 500 3 DAR A 157 84.36 169.20 REMARK 500 3 DAL A 156 -68.56 157.29 REMARK 500 3 DAR A 154 -65.04 170.58 REMARK 500 3 DAL A 152 -95.02 25.13 REMARK 500 3 DSN A 150 -108.17 36.87 REMARK 500 3 DAS A 147 -67.84 164.18 REMARK 500 3 DAR A 145 -141.52 170.42 REMARK 500 4 DGN A 158 154.41 125.66 REMARK 500 4 DAR A 157 83.24 95.86 REMARK 500 4 DLE A 151 65.01 131.99 REMARK 500 4 DPN A 148 -157.55 37.79 REMARK 500 4 DAS A 147 -65.30 163.68 REMARK 500 4 DAR A 145 -97.08 27.77 REMARK 500 5 DAR A 154 -59.69 170.82 REMARK 500 5 DAL A 152 -90.67 9.04 REMARK 500 5 DLE A 151 42.79 146.67 REMARK 500 5 DSN A 150 -132.29 170.44 REMARK 500 5 DAS A 147 -69.32 166.53 REMARK 500 5 DAR A 145 -141.40 170.47 REMARK 500 5 DSN A 142 -109.68 166.37 REMARK 500 6 DAR A 157 83.68 165.06 REMARK 500 6 DAL A 152 -106.80 57.00 REMARK 500 6 DLE A 151 58.05 140.47 REMARK 500 6 DAS A 147 -58.74 168.26 REMARK 500 6 DAR A 145 -141.50 170.50 REMARK 500 6 DSN A 142 -112.56 164.26 REMARK 500 7 DAL A 156 -66.15 170.27 REMARK 500 7 DAR A 154 -62.90 170.07 REMARK 500 7 DAL A 152 -95.39 52.14 REMARK 500 7 DLE A 151 70.03 139.09 REMARK 500 7 DAS A 147 -64.55 166.24 REMARK 500 7 DAR A 145 -109.34 170.75 REMARK 500 7 DVA A 144 -91.43 55.09 REMARK 500 8 DGN A 158 154.30 125.56 REMARK 500 8 DAR A 157 83.55 37.48 REMARK 500 REMARK 500 THIS ENTRY HAS 69 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1BFW A 159 140 PDB 1BFW 1BFW 159 140 SEQRES 1 A 20 LML DGN DAR DAL DVA DAR DPR DAL DLE DSN GLY DPN DAS SEQRES 2 A 20 GLY DAR DVA GLY DSN GLY NH2 MODRES 1BFW DGN A 158 GLN D-GLUTAMINE MODRES 1BFW DAR A 157 ARG D-ARGININE MODRES 1BFW DAL A 156 ALA D-ALANINE MODRES 1BFW DVA A 155 VAL D-VALINE MODRES 1BFW DAR A 154 ARG D-ARGININE MODRES 1BFW DPR A 153 PRO D-PROLINE MODRES 1BFW DAL A 152 ALA D-ALANINE MODRES 1BFW DLE A 151 LEU D-LEUCINE MODRES 1BFW DSN A 150 SER D-SERINE MODRES 1BFW DAS A 147 ASP D-ASPARTIC ACID MODRES 1BFW DAR A 145 ARG D-ARGININE MODRES 1BFW DVA A 144 VAL D-VALINE MODRES 1BFW DSN A 142 SER D-SERINE HET LML A 159 20 HET DGN A 158 17 HET DAR A 157 23 HET DAL A 156 10 HET DVA A 155 16 HET DAR A 154 23 HET DPR A 153 14 HET DAL A 152 10 HET DLE A 151 19 HET DSN A 150 11 HET DPN A 148 20 HET DAS A 147 13 HET DAR A 145 23 HET DVA A 144 16 HET DSN A 142 11 HET NH2 A 140 3 HETNAM LML ISOBUTYL MALONIC ACID HETNAM DGN D-GLUTAMINE HETNAM DAR D-ARGININE HETNAM DAL D-ALANINE HETNAM DVA D-VALINE HETNAM DPR D-PROLINE HETNAM DLE D-LEUCINE HETNAM DSN D-SERINE HETNAM DPN D-PHENYLALANINE HETNAM DAS D-ASPARTIC ACID HETNAM NH2 AMINO GROUP FORMUL 1 LML C7 H12 O4 FORMUL 1 DGN C5 H10 N2 O3 FORMUL 1 DAR 3(C6 H15 N4 O2 1+) FORMUL 1 DAL 2(C3 H7 N O2) FORMUL 1 DVA 2(C5 H11 N O2) FORMUL 1 DPR C5 H9 N O2 FORMUL 1 DLE C6 H13 N O2 FORMUL 1 DSN 2(C3 H7 N O3) FORMUL 1 DPN C9 H11 N O2 FORMUL 1 DAS C4 H7 N O4 FORMUL 1 NH2 H2 N LINK C LML A 159 N DGN A 158 1555 1555 1.33 LINK C DGN A 158 N DAR A 157 1555 1555 1.33 LINK C DAR A 157 N DAL A 156 1555 1555 1.33 LINK C DAL A 156 N DVA A 155 1555 1555 1.33 LINK C DVA A 155 N DAR A 154 1555 1555 1.33 LINK C DAR A 154 N DPR A 153 1555 1555 1.36 LINK C DPR A 153 N DAL A 152 1555 1555 1.33 LINK C DAL A 152 N DLE A 151 1555 1555 1.33 LINK C DLE A 151 N DSN A 150 1555 1555 1.33 LINK C DSN A 150 N GLY A 149 1555 1555 1.32 LINK N DPN A 148 C GLY A 149 1555 1555 1.33 LINK C DPN A 148 N DAS A 147 1555 1555 1.33 LINK C DAS A 147 N GLY A 146 1555 1555 1.33 LINK N DAR A 145 C GLY A 146 1555 1555 1.33 LINK C DAR A 145 N DVA A 144 1555 1555 1.33 LINK C DVA A 144 N GLY A 143 1555 1555 1.33 LINK N DSN A 142 C GLY A 143 1555 1555 1.33 LINK C DSN A 142 N GLY A 141 1555 1555 1.33 LINK N NH2 A 140 C 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