Header list of 1wct.pdb file
Complete list - 29 202 Bytes
HEADER GAMMA-CARBOXY GLUTAMIC ACID 18-DEC-98 1WCT
TITLE A NOVEL CONOTOXIN FROM CONUS TEXTILE WITH UNUSUAL POST-TRANSLATIONAL
TITLE 2 MODIFICATIONS REDUCES PRESYNAPTIC CALCIUM INFLUX, NMR, 1 STRUCTURE,
TITLE 3 GLYCOSYLATED PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: OMEGAC-TXIX;
COMPND 3 CHAIN: A;
COMPND 4 OTHER_DETAILS: GAMMA CARBOXYLATED, BROMINATED, GLYCOSYLATED,
COMPND 5 HYDROXYLATED
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: CONUS TEXTILE;
SOURCE 3 ORGANISM_COMMON: CLOTH-OF-GOLD CONE;
SOURCE 4 ORGANISM_TAXID: 6494;
SOURCE 5 SECRETION: VENOM;
SOURCE 6 CELLULAR_LOCATION: VENOM DUCT;
SOURCE 7 OTHER_DETAILS: ISOLATED NATURAL PEPTIDE
KEYWDS GAMMA-CARBOXY GLUTAMIC ACID, NOVEL OMEGA CONOTOXIN, CALCIUM CHANNEL
KEYWDS 2 BLOCKER
EXPDTA SOLUTION NMR
AUTHOR A.C.RIGBY,B.HAMBE,E.CZERWIEC,J.D.BALEJA,B.C.FURIE,B.FURIE,J.STENFLO
REVDAT 4 29-JUL-20 1WCT 1 COMPND REMARK SEQRES HET
REVDAT 4 2 1 HETNAM HETSYN FORMUL LINK
REVDAT 4 3 1 ATOM
REVDAT 3 29-NOV-17 1WCT 1 REMARK HELIX
REVDAT 2 24-FEB-09 1WCT 1 VERSN
REVDAT 1 08-JUN-99 1WCT 0
JRNL AUTH A.C.RIGBY,E.LUCAS-MEUNIER,D.E.KALUME,E.CZERWIEC,B.HAMBE,
JRNL AUTH 2 I.DAHLQVIST,P.FOSSIER,G.BAUX,P.ROEPSTORFF,J.D.BALEJA,
JRNL AUTH 3 B.C.FURIE,B.FURIE,J.STENFLO
JRNL TITL A CONOTOXIN FROM CONUS TEXTILE WITH UNUSUAL
JRNL TITL 2 POSTTRANSLATIONAL MODIFICATIONS REDUCES PRESYNAPTIC CA2+
JRNL TITL 3 INFLUX.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 96 5758 1999
JRNL REFN ISSN 0027-8424
JRNL PMID 10318957
JRNL DOI 10.1073/PNAS.96.10.5758
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII
REMARK 3 AUTHORS : HAVEL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WCT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177175.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288
REMARK 210 PH : 5.63
REMARK 210 IONIC STRENGTH : 0.025
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : D4-ACETATE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : TOCSY; NOESY; DQFCOSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : INSIGHT II
REMARK 210 METHOD USED : DGII
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: LOWEST ENERGY.
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, B
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 CYS A 2 -84.14 78.44
REMARK 500 CYS A 8 -42.56 -139.32
REMARK 500 THR A 10 168.16 166.56
REMARK 500 ALA A 11 -81.28 -44.45
REMARK 500 ALA A 12 76.17 36.18
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1WCT A 1 13 UNP P81755 CXET_CONTE 51 63
SEQRES 1 A 13 CGU CYS CYS CGU ASP GLY BTR CYS CYS THR ALA ALA HYP
MODRES 1WCT CGU A 1 GLU GAMMA-CARBOXY-GLUTAMIC ACID
MODRES 1WCT CGU A 4 GLU GAMMA-CARBOXY-GLUTAMIC ACID
MODRES 1WCT BTR A 7 TRP 6-BROMO-TRYPTOPHAN
MODRES 1WCT HYP A 13 PRO 4-HYDROXYPROLINE
HET CGU A 1 18
HET CGU A 4 17
HET BTR A 7 24
HET HYP A 13 17
HET NGA B 1 27
HET GAL B 2 22
HETNAM CGU GAMMA-CARBOXY-GLUTAMIC ACID
HETNAM BTR 6-BROMO-TRYPTOPHAN
HETNAM HYP 4-HYDROXYPROLINE
HETNAM NGA 2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSE
HETNAM GAL BETA-D-GALACTOPYRANOSE
HETSYN HYP HYDROXYPROLINE
FORMUL 1 CGU 2(C6 H9 N O6)
FORMUL 1 BTR C11 H11 BR N2 O2
FORMUL 1 HYP C5 H9 N O3
FORMUL 2 NGA C8 H15 N O6
FORMUL 2 GAL C6 H12 O6
SSBOND 1 CYS A 2 CYS A 8 1555 1555 2.04
SSBOND 2 CYS A 3 CYS A 9 1555 1555 2.04
LINK C CGU A 1 N CYS A 2 1555 1555 1.35
LINK C CYS A 3 N CGU A 4 1555 1555 1.35
LINK C CGU A 4 N ASP A 5 1555 1555 1.35
LINK C GLY A 6 N BTR A 7 1555 1555 1.35
LINK C BTR A 7 N CYS A 8 1555 1555 1.35
LINK OG1 THR A 10 C1 NGA B 1 1555 1555 1.47
LINK C ALA A 12 N HYP A 13 1555 1555 1.37
LINK O3 NGA B 1 C1 GAL B 2 1555 1555 1.44
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
Complete list - 29 202 Bytes