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- PDB-1c56: NMR SOLUTION STRUCTURE OF BUTANTOXIN -

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Basic information

Entry
Database: PDB / ID: 1c56
TitleNMR SOLUTION STRUCTURE OF BUTANTOXIN
ComponentsBUTANTOXIN
KeywordsTOXIN / BUTANTOXIN
Function / homology
Function and homology information


ion channel inhibitor 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 / Knottin, scorpion toxin-like superfamily / Defensin A-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Potassium channel toxin alpha-KTx 12.1
Similarity search - Component
Biological speciesTityus serrulatus (Brazilian scorpion)
MethodSOLUTION NMR / distance geometry
AuthorsHoladay Jr., S.K. / Martin, B.M. / Fletcher Jr., P.L. / Krishna, N.R.
CitationJournal: Arch.Biochem.Biophys. / Year: 2000
Title: NMR solution structure of butantoxin.
Authors: Holaday Jr., S.K. / Martin, B.M. / Fletcher Jr., P.L. / Krishna, N.R.
History
DepositionOct 25, 1999Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 19, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 1.5Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: BUTANTOXIN


Theoretical massNumber of molelcules
Total (without water)4,5211
Polymers4,5211
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)1 / 100LEAST RESTRAINT VIOLATION
Representative

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Components

#1: Protein/peptide BUTANTOXIN


Mass: 4521.282 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Tityus serrulatus (Brazilian scorpion) / Tissue: VENOM / References: UniProt: P59936
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121DQF-COSY
131NOESY
141TOCSY
NMR detailsText: AVERAGE STRUCTURE

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Sample preparation

DetailsContents: 90% WATER/10% D2O
Sample conditionsIonic strength: 50 / pH: 5 / Pressure: 1 atm / Temperature: 293 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AM 600 / Manufacturer: Bruker / Model: AM 600 / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR3.8BRUNGERrefinement
Felix97.2structure solution
RefinementMethod: distance geometry / Software ordinal: 1
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 100 / Conformers submitted total number: 1

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