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- PDB-1hp9: kappa-Hefutoxins: a novel Class of Potassium Channel Toxins from ... -

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Basic information

Entry
Database: PDB / ID: 1hp9
Titlekappa-Hefutoxins: a novel Class of Potassium Channel Toxins from Scorpion venom
Componentskappa-hefutoxin 1
KeywordsTOXIN / SCORPION TOXIN / GATING MODIFIER / VOLTAGE-GATED POTASSIUM CHANNEL
Function / homology
Function and homology information


: / potassium channel regulator activity / defense response to fungus / toxin activity / killing of cells of another organism / extracellular region
Similarity search - Function
Hefutoxin / Hefutoxin family
Similarity search - Domain/homology
Potassium channel toxin kappa-KTx 1.2 / Potassium channel toxin kappa-KTx 1.2
Similarity search - Component
MethodSOLUTION NMR / molecular dynamics, simulated annealing
Model type detailsminimized average
AuthorsSrinivasan, K.N. / Sivaraja, V. / Huys, I. / Sasaki, T. / Cheng, B. / Kumar, T.K.S. / Sato, K. / Tytgat, J. / Yu, C. / Brian Chia, C.S. ...Srinivasan, K.N. / Sivaraja, V. / Huys, I. / Sasaki, T. / Cheng, B. / Kumar, T.K.S. / Sato, K. / Tytgat, J. / Yu, C. / Brian Chia, C.S. / Ranganathan, S. / Bowie, J.H. / Kini, R.M. / Gopalakrishnakone, P.
CitationJournal: J.Biol.Chem. / Year: 2002
Title: kappa-Hefutoxin1, a novel toxin from the scorpion Heterometrus fulvipes with unique structure and function. Importance of the functional diad in potassium channel selectivity.
Authors: Srinivasan, K.N. / Sivaraja, V. / Huys, I. / Sasaki, T. / Cheng, B. / Kumar, T.K. / Sato, K. / Tytgat, J. / Yu, C. / San, B.C. / Ranganathan, S. / Bowie, H.J. / Kini, R.M. / Gopalakrishnakone, P.
History
DepositionDec 12, 2000Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Aug 28, 2002Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: kappa-hefutoxin 1


Theoretical massNumber of molelcules
Total (without water)2,6651
Polymers2,6651
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / 20
RepresentativeModel #1minimized average structure

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Components

#1: Protein/peptide kappa-hefutoxin 1


Mass: 2664.912 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: This sequence occurs naturally in the scorpion, Heterometrus fulvipes
References: UniProt: P82850, UniProt: P82851*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experimentType: DQF-COSY
NMR detailsText: this structure was determined by 2D NMR

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Sample preparation

DetailsContents: 18.59mg of HEFUTOXIN1 was dissolved in 0.70ml of water / D2O (9:1 by volume) containing 50mM of phosphate buffer
Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 10 / pH: 3.5 / Pressure: ambient / Temperature: 310 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 600 MHz

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Processing

NMR softwareName: VNMR / Version: 5.3 / Classification: processing
RefinementMethod: molecular dynamics, simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: minimized average structure
NMR ensembleConformers calculated total number: 20 / Conformers submitted total number: 1

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