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- PDB-1kcp: 3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOC... -

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Basic information

Entry
Database: PDB / ID: 1kcp
Title3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES
ComponentsKAPPA-CONOTOXIN PVIIA
KeywordsNEUROTOXIN / POTASSIUM CHANNEL INHIBITOR
Function / homologyConotoxin / Conotoxin / ion channel inhibitor activity / potassium channel regulator activity / toxin activity / extracellular region / Kappa-conotoxin PVIIA
Function and homology information
Biological speciesConus purpurascens (invertebrata)
MethodSOLUTION NMR / simulated annealing
AuthorsSavarin, P. / Guenneugues, M. / Gilquin, B. / Lamthanh, H. / Gasparini, S. / Zinn-Justin, S. / Menez, A.
Citation
Journal: Biochemistry / Year: 1998
Title: Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails.
Authors: Savarin, P. / Guenneugues, M. / Gilquin, B. / Lamthanh, H. / Gasparini, S. / Zinn-Justin, S. / Menez, A.
#1: Journal: Nature / Year: 1996
Title: Strategy for Rapid Immobilization of Prey by a Fish-Hunting Marine Snail
Authors: Terlau, H. / Shon, K.J. / Grilley, M. / Stocker, M. / Stuhmb, W. / Olivera, B.M.
History
DepositionJan 27, 1998Processing site: BNL
Revision 1.0Oct 14, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 29, 2017Group: Derived calculations / Other / Category: pdbx_database_status / struct_conf / Item: _pdbx_database_status.process_site

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: KAPPA-CONOTOXIN PVIIA


Theoretical massNumber of molelcules
Total (without water)3,2811
Polymers3,2811
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)22 / -
Representative

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Components

#1: Protein/peptide KAPPA-CONOTOXIN PVIIA


Mass: 3280.875 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Conus purpurascens (invertebrata) / References: UniProt: P56633

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY
NMR detailsText: NOE DATA CAME FROM SPECTRA COLLECTED AT 15 DEGREES, PH 5.0. A TOTAL OF 434 NOE RESTRAINTS WERE COMBINED WITH 20 DIHEDRAL ANGLE CONSTRAINTS FOR THE FINAL STRUCTURE REFINEMENT.

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Sample preparation

Sample conditionspH: 5 / Temperature: 288 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX500 / Manufacturer: Bruker / Model: AMX500 / Field strength: 500 MHz

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.1BRUNGERrefinement
BRUKER UXNMRUXNMRstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformers submitted total number: 22

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