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- PDB-1tsk: SCORPION TOXIN (TS KAPPA) FROM TITYUS SERRULATUS ACTIVE ON SMALL ... -

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Basic information

Entry
Database: PDB / ID: 1tsk
TitleSCORPION TOXIN (TS KAPPA) FROM TITYUS SERRULATUS ACTIVE ON SMALL CONDUCTANCE POTASSIUM CHANNEL, NMR, 30 STRUCTURES
ComponentsTS KAPA
KeywordsNEUROTOXIN / SCORPION / TOXIN / TITYUS SERRULATUS / POTASSIUM CHANNEL / TS KAPA
Function / homology
Function and homology information


ion channel inhibitor activity / sodium channel regulator activity / potassium channel regulator activity / toxin activity / extracellular region
Similarity search - Function
Scorpion short toxins signature. / Scorpion short chain toxin, potassium channel inhibitor / Scorpion short toxin, BmKK2 / Knottin, scorpion toxin-like superfamily
Similarity search - Domain/homology
Potassium channel toxin alpha-KTx 4.2
Similarity search - Component
Biological speciesTityus serrulatus (Brazilian scorpion)
MethodSOLUTION NMR / DISTANCE GEOMETRY, ENERGY MINIMIZATION
AuthorsBlanc, E. / Darbon, H.
CitationJournal: Proteins / Year: 1997
Title: Solution structure of TsKapa, a charybdotoxin-like scorpion toxin from Tityus serrulatus with high affinity for apamin-sensitive Ca(2+)-activated K+ channels.
Authors: Blanc, E. / Lecomte, C. / Rietschoten, J.V. / Sabatier, J.M. / Darbon, H.
History
DepositionFeb 5, 1997Processing site: BNL
Revision 1.0Aug 12, 1997Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: TS KAPA


Theoretical massNumber of molelcules
Total (without water)3,7911
Polymers3,7911
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)30 / 30OVERALL ENERGY
Representative

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Components

#1: Protein/peptide TS KAPA


Mass: 3791.476 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Tityus serrulatus (Brazilian scorpion) / References: UniProt: P56219

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY

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Sample preparation

Sample conditionspH: 3 / Temperature: 283 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX500 / Manufacturer: Bruker / Model: DRX500 / 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
DIANAstructure solution
X-PLORstructure solution
RefinementMethod: DISTANCE GEOMETRY, ENERGY MINIMIZATION / Software ordinal: 1
Details: THE STRUCTURES WERE CALCULATED WITH THE DISTANCE GEOMETRY SOFTWARE DIANA-2.8 AND THEN MINIMIZED USING THE POWELL ALGORITHM OF THE X-PLOR SOFTWARE.
NMR ensembleConformer selection criteria: OVERALL ENERGY / Conformers calculated total number: 30 / Conformers submitted total number: 30

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