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- PDB-2ck5: Solution structure of Delta 1-7 aOSK1 -

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Basic information

Entry
Database: PDB / ID: 2ck5
TitleSolution structure of Delta 1-7 aOSK1
ComponentsPOTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7
KeywordsION CHANNEL INHIBITOR / POTASSIUM CHANNEL INHIBITOR / ION CHANNEL BLOCKER / IONIC CHANNEL INHIBITOR / OSK1 / TOXIN / NEUROTOXIN / SCORPIO TOXIN
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 3.7
Function and homology information
Biological speciesORTHOCHIRUS SCROBICULOSUS (Central Asian scorpion)
MethodSOLUTION NMR / ARIA
AuthorsAlphonse, S. / Mouhat, S. / Sabatier, J.M. / Darbon, H. / Bernard, C.
CitationJournal: To be Published
Title: Solution Structure of Two Analogues of the Osk1 Toxin
Authors: Alphonse, S. / Mouhat, S. / Sabatier, J.M. / Darbon, H. / Bernard, C.
History
DepositionApr 10, 2006Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 15, 2007Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7


Theoretical massNumber of molelcules
Total (without water)3,4821
Polymers3,4821
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)20 / 50LEAST RESTRAINT VIOLATION
RepresentativeModel #18

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Components

#1: Protein/peptide POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7 / DELTA 1-7 AOSK1 / TOXIN OSK1 / OSK-1


Mass: 3482.329 Da / Num. of mol.: 1 / Mutation: YES / Source method: obtained synthetically
Source: (synth.) ORTHOCHIRUS SCROBICULOSUS (Central Asian scorpion)
References: UniProt: P55896
Compound detailsBLOCKER OF SMALL CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS ENGINEERED RESIDUE IN CHAIN A, ...BLOCKER OF SMALL CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS ENGINEERED RESIDUE IN CHAIN A, GLU 16 TO LYS ENGINEERED RESIDUE IN CHAIN A, LYS 20 TO ASP
Sequence detailsMUTATIONS E16K K20D AND DELETION 1-7

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
221TOCSY
331COSY
NMR detailsText: NONE

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Sample preparation

DetailsContents: 90% WATER/10% D2O
Sample conditions
Conditions-IDpHPressure (kPa)Temperature (K)
13.5 1.0 atm300.0 K
23.5 1.0 atm300.0 K
33.5 1.0 atm300.0 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker OTHERBrukerOTHER5001
Bruker OTHERBrukerOTHER5002
Bruker OTHERBrukerOTHER5003

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Processing

NMR software
NameDeveloperClassification
ARIABRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE,SIMONSON,WARRENrefinement
NMRVIEWstructure solution
RefinementMethod: ARIA / Software ordinal: 1 / Details: WATER REFINEMENT USING THE OPLSX FORCEFIELD
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 50 / Conformers submitted total number: 20

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