Header list of 3mra.pdb file
Complete list - 13 20 Bytes
HEADER MEMBRANE PROTEIN 15-JUL-97 3MRA
TITLE M3 TRANSMEMBRANE SEGMENT OF ALPHA-SUBUNIT OF NICOTINIC ACETYLCHOLINE
TITLE 2 RECEPTOR FROM TORPEDO CALIFORNICA, NMR, 15 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: M3 TRANSMEMBRANE SEGMENT;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: TETRONARCE CALIFORNICA;
SOURCE 4 ORGANISM_COMMON: PACIFIC ELECTRIC RAY;
SOURCE 5 ORGANISM_TAXID: 7787
KEYWDS TRANSMEMBRANE SEGMENT M3 OF NACHR, RECEPTOR, ION-CHANNEL, MEMBRANE
KEYWDS 2 PROTEIN, TRANSMEMBRANE SEGMENT, ALPHA-HELIX
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR A.A.LUGOVSKOY,I.V.MASLENNIKOV,Y.N.UTKIN,V.I.TSETLIN,J.B.COHEN,
AUTHOR 2 A.S.ARSENIEV
REVDAT 3 13-JAN-21 3MRA 1 COMPND SOURCE REMARK DBREF
REVDAT 2 24-FEB-09 3MRA 1 VERSN
REVDAT 1 21-JAN-98 3MRA 0
JRNL AUTH A.A.LUGOVSKOY,I.V.MASLENNIKOV,Y.N.UTKIN,V.I.TSETLIN,
JRNL AUTH 2 J.B.COHEN,A.S.ARSENIEV
JRNL TITL SPATIAL STRUCTURE OF THE M3 TRANSMEMBRANE SEGMENT OF THE
JRNL TITL 2 NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA SUBUNIT.
JRNL REF EUR.J.BIOCHEM. V. 255 455 1998
JRNL REFN ISSN 0014-2956
JRNL PMID 9716388
JRNL DOI 10.1046/J.1432-1327.1998.2550455.X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DIANA
REMARK 3 AUTHORS : GUNTERT
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 3MRA 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_1000179059.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; TOCSY; NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR, XEASY, DIANA, FANTOM
REMARK 210 METHOD USED : DISTANCE GEOMETRY, RESTRAINED
REMARK 210 ENERGY MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 25
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINTS VIOLATION
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 LEU A 279 -88.12 -146.68
REMARK 500 2 MET A 278 -61.82 78.97
REMARK 500 2 HIS A 300 78.11 -100.00
REMARK 500 3 MET A 278 -49.68 -144.79
REMARK 500 4 MET A 278 68.05 -152.97
REMARK 500 7 MET A 278 74.94 49.39
REMARK 500 7 HIS A 300 51.78 -99.96
REMARK 500 8 MET A 278 100.64 56.77
REMARK 500 8 HIS A 300 -65.36 -99.88
REMARK 500 10 LEU A 279 -93.62 -117.58
REMARK 500 11 MET A 278 -63.67 -146.58
REMARK 500 11 LEU A 279 -63.52 164.08
REMARK 500 12 HIS A 300 49.16 -100.01
REMARK 500 13 MET A 278 74.94 49.39
REMARK 500 13 HIS A 300 51.78 -99.96
REMARK 500 14 MET A 278 100.64 56.77
REMARK 500 14 HIS A 300 -65.36 -99.88
REMARK 500
REMARK 500 REMARK: NULL
DBREF 3MRA A 277 301 UNP P02710 ACHA_TETCF 301 325
SEQRES 1 A 25 TYR MET LEU PHE THR MET ILE PHE VAL ILE SER SER ILE
SEQRES 2 A 25 ILE ILE THR VAL VAL VAL ILE ASN THR HIS HIS ARG
HELIX 1 H1 LEU A 279 MET A 282 5 4
HELIX 2 H2 ILE A 283 THR A 298 1 16
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 - 13 20 Bytes