Header list of 1tos.pdb file
Complete list - 29 201 Bytes
HEADER TRANSMEMBRANE PROTEIN 11-OCT-95 1TOS
TITLE TORPEDO CALIFORNICA ACHR RECEPTOR [ALA76] ANALOGUE COMPLEXED WITH THE
TITLE 2 ANTI-ACETYLCHOLINE MAB6 MONOCLONAL ANTIBODY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACETYLCHOLINE RECEPTOR [ALA76] MIR ANALOGUE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ALPHA 67-76 DOMAIN OF THE ACETYLCHOLINE RECEPTOR
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA;
SOURCE 3 ORGANISM_COMMON: PACIFIC ELECTRIC RAY;
SOURCE 4 ORGANISM_TAXID: 7787
KEYWDS TRANSMEMBRANE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 3
AUTHOR P.ORLEWSKI,V.TSIKARIS,C.SAKARELLOS,M.SAKARELLOS-DAISTIOTIS,E.VATZAKI,
AUTHOR 2 S.J.TZARTOS,M.MARRAUD,M.T.CUNG
REVDAT 3 29-NOV-17 1TOS 1 REMARK HELIX
REVDAT 2 24-FEB-09 1TOS 1 VERSN
REVDAT 1 08-MAR-96 1TOS 0
JRNL AUTH P.ORLEWSKI,M.MARRAUD,M.T.CUNG,V.TSIKARIS,
JRNL AUTH 2 M.SAKARELLOS-DAITSIOTIS,C.SAKARELLOS,E.VATZAKI,S.J.TZARTOS
JRNL TITL COMPARED STRUCTURES OF THE FREE NICOTINIC ACETYLCHOLINE
JRNL TITL 2 RECEPTOR MAIN IMMUNOGENIC REGION (MIR) DECAPEPTIDE AND THE
JRNL TITL 3 ANTIBODY-BOUND [A76]MIR ANALOGUE: A MOLECULAR DYNAMICS
JRNL TITL 4 SIMULATION FROM TWO-DIMENSIONAL NMR DATA.
JRNL REF BIOPOLYMERS V. 40 419 1996
JRNL REFN ISSN 0006-3525
JRNL PMID 9062066
JRNL DOI 10.1002/(SICI)1097-0282(1996)40:5<419::AID-BIP1>3.0.CO;2-Z
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH V.TSIKARIS,E.DESTICAS,M.SAKARELLOS-DAISTIOTIS,C.SAKARELLOS,
REMARK 1 AUTH 2 M.T.CUNG,M.MARRAUD,E.VATZAKI,S.J.TZARTOS
REMARK 1 TITL CONFORMATIONAL REQUIREMENTS FOR MOLECULAR RECOGNITION OF
REMARK 1 TITL 2 ACETYLCHOLINE RECEPTOR MAIN IMMUNOGENIC REGION (MIR)
REMARK 1 TITL 3 ANALOGUES BY MONOCLONAL ANTI-MIR ANTIBODY: A TWO-DIMENSIONAL
REMARK 1 TITL 4 NUCLEAR MAGNETIC RESONANCE AND MOLECULAR DYNAMICS APPROACH
REMARK 1 REF BIOPOLYMERS V. 33 1123 1993
REMARK 1 REFN ISSN 0006-3525
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.T.CUNG,V.TSIKARIS,P.DEMANGE,I.PAPADOULI,S.TZARTOS,
REMARK 1 AUTH 2 C.SAKARELLOS,M.MARRAUD
REMARK 1 TITL 2D-NMR AND MOLECULAR DYNAMICS ANALYSIS OF THE TORPEDO
REMARK 1 TITL 2 CALIFORNICA ACETYLCHOLINE RECEPTOR ALPHA67-76 FRAGMENT AND
REMARK 1 TITL 3 OF ITS [ALA76]-ANALOGUE
REMARK 1 REF PEPT.RES. V. 5 14 1992
REMARK 1 REFN ISSN 1040-5704
REMARK 1 REFERENCE 3
REMARK 1 AUTH M.T.CUNG,P.DEMANGE,M.MARRAUD,V.TSIKARIS,I.PAPADOULI,
REMARK 1 AUTH 2 C.SAKARELLOS,A.KOKLA,S.J.TZARTOS
REMARK 1 TITL TWO-DIMENSIONAL 1H-NMR STUDY OF ANTIGEN-ANTIBODY
REMARK 1 TITL 2 INTERACTIONS: BINDING OF SYNTHETIC DECAPEPTIDES TO AN
REMARK 1 TITL 3 ANTI-ACETYLCHOLINE RECEPTOR MONOCLONAL ANTIBODY
REMARK 1 REF BIOPOLYMERS V. 31 769 1991
REMARK 1 REFN ISSN 0006-3525
REMARK 1 REFERENCE 4
REMARK 1 AUTH M.T.CUNG,M.MARRAUD,I.HADJIDAKIS,E.BAIRAKTARI,C.SAKARELLOS,
REMARK 1 AUTH 2 A.KOKLA,S.J TZARTOS
REMARK 1 TITL TWO-DIMENSIONAL 1H-NMR STUDY OF SYNTHETIC PEPTIDES
REMARK 1 TITL 2 CONTAINING THE MAIN IMMUNOGENIC REGION OF THE TORPEDO
REMARK 1 TITL 3 ACETYLCHOLINE RECEPTOR
REMARK 1 REF BIOPOLYMERS V. 28 465 1989
REMARK 1 REFN ISSN 0006-3525
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII, DISCOVER 2.8
REMARK 3 AUTHORS : HAVEL (DGII), BIOSYM (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TOS 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_1000176774.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 3
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 TYR A 6 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 2 TRP A 1 CD1 - NE1 - CE2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 3 TYR A 6 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
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 2 ASP A 5 56.12 -104.09
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1TOS A 1 9 UNP P02710 ACHA_TORCA 91 99
SEQRES 1 A 10 TRP ASN PRO ALA ASP TYR GLY GLY ILE ALA
HELIX 1 1 PRO A 3 ASP A 5 5 3
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 - 29 201 Bytes