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- PDB-1wt7: Solution structure of BuTX-MTX: a butantoxin-maurotoxin chimera -

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Basic information

Entry
Database: PDB / ID: 1wt7
TitleSolution structure of BuTX-MTX: a butantoxin-maurotoxin chimera
ComponentsBuTX-MTX
KeywordsTOXIN / Maurotoxin / Butantoxin / Scorpion toxin / K+ channels / molecular contacts / toxin affinity
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 / Potassium channel toxin alpha-KTx 6.2
Similarity search - Component
MethodSOLUTION NMR
AuthorsM'Barek, S. / Chagot, B. / Andreotti, N. / Visan, V. / Mansuelle, P. / Grissmer, S. / Marrakchi, M. / El Ayeb, M. / Sampieri, F. / Darbon, H. ...M'Barek, S. / Chagot, B. / Andreotti, N. / Visan, V. / Mansuelle, P. / Grissmer, S. / Marrakchi, M. / El Ayeb, M. / Sampieri, F. / Darbon, H. / Fajloun, Z. / De Waard, M. / Sabatier, J.-M.
CitationJournal: Proteins / Year: 2005
Title: Increasing the molecular contacts between maurotoxin and Kv1.2 channel augments ligand affinity.
Authors: M'Barek, S. / Chagot, B. / Andreotti, N. / Visan, V. / Mansuelle, P. / Grissmer, S. / Marrakchi, M. / El Ayeb, M. / Sampieri, F. / Darbon, H. / Fajloun, Z. / De Waard, M. / Sabatier, J.M.
History
DepositionNov 16, 2004Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 30, 2004Provider: 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_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 1.4Oct 30, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: BuTX-MTX


Theoretical massNumber of molelcules
Total (without water)4,4341
Polymers4,4341
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)25 / 100structures with the lowest energy, structures with the least restraint violations
Representative

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Components

#1: Protein/peptide BuTX-MTX / butantoxin-maurotoxin


Mass: 4434.240 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: butantoxin-maurotoxin chimera (Butantoxin: toxin from the Brazilian scorpion Tityus serrulatus, maurotoxin: toxin from the scorpion S. maurus palmatus)
References: UniProt: P59936, UniProt: P80719
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111DQF-COSY
1222D TOCSY
1332D NOESY

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Sample preparation

Sample conditionspH: 3 / Pressure: ambient / Temperature: 290 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameVersionClassification
XwinNMR2.1processing
XEASY1.13data analysis
ARIA1.2structure solution
ARIA1.2refinement
NMR ensembleConformer selection criteria: structures with the lowest energy, structures with the least restraint violations
Conformers calculated total number: 100 / Conformers submitted total number: 25

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