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- PDB-1xsw: The solid-state NMR structure of Kaliotoxin -

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Basic information

Entry
Database: PDB / ID: 1xsw
TitleThe solid-state NMR structure of Kaliotoxin
ComponentsKaliotoxin 1
KeywordsTOXIN
Function / homologyScorpion short toxins signature. / Scorpion short chain toxin, potassium channel inhibitor / Scorpion short toxin, BmKK2 / Knottin, scorpion toxin-like superfamily / ion channel inhibitor activity / potassium channel regulator activity / toxin activity / extracellular region / Potassium channel toxin alpha-KTx 3.1
Function and homology information
Biological speciesAndroctonus mauretanicus mauretanicus (scorpion)
MethodSOLID-STATE NMR
AuthorsLange, A. / Becker, S. / Seidel, K. / Giller, K. / Pongs, O. / Baldus, M.
CitationJournal: Angew.Chem.Int.Ed.Engl. / Year: 2005
Title: A Concept for Rapid Protein-Structure Determination by Solid-State NMR Spectroscopy
Authors: Lange, A. / Becker, S. / Seidel, K. / Giller, K. / Pongs, O. / Baldus, M.
History
DepositionOct 20, 2004Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Apr 5, 2005Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_spectrometer ...database_2 / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_spectrometer.model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Kaliotoxin 1


Theoretical massNumber of molelcules
Total (without water)4,1651
Polymers4,1651
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)10 / 200structures with the lowest energy
RepresentativeModel #2closest to the average

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Components

#1: Protein/peptide Kaliotoxin 1 / KTX 1 / Alpha-KTx 3.1


Mass: 4165.052 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Androctonus mauretanicus mauretanicus (scorpion)
Species: Androctonus mauretanicus / Strain: mauretanicus / Production host: Escherichia coli (E. coli) / References: UniProt: P24662

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Experimental details

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Experiment

ExperimentMethod: SOLID-STATE NMR

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AVANCEBrukerAVANCE8001
Bruker AVANCEBrukerAVANCE6002

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Processing

NMR softwareName: CNS / Version: 1.1 / Classification: refinement
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 200 / Conformers submitted total number: 10

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