Header list of 1lcx.pdb file
Complete list - 25 20 Bytes
HEADER VIRAL PROTEIN 07-APR-02 1LCX
TITLE NMR STRUCTURE OF HIV-1 GP41 659-671 13MER PEPTIDE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GP41;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 659-671;
COMPND 5 SYNONYM: TRANSMEMBRANE GLYCOPROTEIN;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PEPTIDE IS NATURALLY FOUND IN HIV-1 VIRUS.
KEYWDS GP41, 3-10 HELIX, HIV-1, VIRAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR Z.BIRON,S.KHARE,A.O.SAMSON,Y.HAYEK,F.NAIDER,J.ANGLISTER
REVDAT 3 09-MAR-11 1LCX 1 REMARK
REVDAT 2 24-FEB-09 1LCX 1 VERSN
REVDAT 1 04-DEC-02 1LCX 0
JRNL AUTH Z.BIRON,S.KHARE,A.O.SAMSON,Y.HAYEK,F.NAIDER,J.ANGLISTER
JRNL TITL A MONOMERIC 3(10)-HELIX IS FORMED IN WATER BY A 13-RESIDUE
JRNL TITL 2 PEPTIDE REPRESENTING THE NEUTRALIZING DETERMINANT OF HIV-1
JRNL TITL 3 ON GP41.
JRNL REF BIOCHEMISTRY V. 41 12687 2002
JRNL REFN ISSN 0006-2960
JRNL PMID 12379111
JRNL DOI 10.1021/BI026261Y
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 3.0
REMARK 3 AUTHORS : BRUNGER, A.T.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1LCX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-02.
REMARK 100 THE RCSB ID CODE IS RCSB015843.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 277
REMARK 210 PH : 7.7
REMARK 210 IONIC STRENGTH : 0.1 M
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 3MM GP41 659-671 PEPTIDE , 50MM
REMARK 210 AMMONIUM ACETATE BUFFER PH 7.7
REMARK 210 CONTAINING 0.05% NAN3.; 5MM GP41
REMARK 210 659-671 PEPTIDE , 50MM AMMONIUM
REMARK 210 ACETATE BUFFER PH 7.7 CONTAINING
REMARK 210 0.05% NAN3.
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA 2.0, XWINNMR 3.0, CNS 3.0
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 25
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 O ALA A 9 H TRP A 12 2.03
REMARK 500 O ASP A 6 H ALA A 9 2.14
REMARK 500 O TRP A 8 H LEU A 11 2.18
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 LEU A 3 -173.09 -59.47
REMARK 500 3 LEU A 2 -46.37 -131.94
REMARK 500 3 TRP A 12 30.38 -141.31
REMARK 500 4 LEU A 2 -39.46 -177.48
REMARK 500 4 TRP A 12 31.79 -146.26
REMARK 500 8 LEU A 2 31.65 -98.83
REMARK 500 9 TRP A 12 30.51 -97.08
REMARK 500 10 TRP A 12 30.48 -99.78
REMARK 500 11 TRP A 12 32.39 -164.86
REMARK 500 13 TRP A 12 53.10 -110.90
REMARK 500 17 TRP A 12 38.82 179.81
REMARK 500 18 TRP A 12 30.37 -98.34
REMARK 500 20 TRP A 12 30.01 -97.05
REMARK 500 22 TRP A 12 31.03 -140.50
REMARK 500 24 LEU A 2 45.54 -140.91
REMARK 500 24 LEU A 3 173.17 -59.40
REMARK 500 25 TRP A 12 87.35 -161.87
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LB0 RELATED DB: PDB
REMARK 900 PDB-ID 1LB0 REPRESENTS THE AVERAGE STRUCTURE OF GP41 659-671
DBREF 1LCX A 1 13 UNP P31872 ENV_HV1W1 659 671
SEQRES 1 A 13 GLU LEU LEU GLU LEU ASP LYS TRP ALA SER LEU TRP ASN
HELIX 1 1 LEU A 3 ASN A 13 5 11
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 - 25 20 Bytes