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Structure paper

TitleStructural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 33607-33614, Year 2012
Publish dateApr 6, 2012 (structure data deposition date)
AuthorsStura, E.A. / Le Roux, L. / Guitot, K. / Garcia, S. / Bregant, S. / Beau, F. / Vera, L. / Collet, G. / Ptchelkine, D. / Bakirci, H. / Dive, V.
External linksJ. Biol. Chem. / PubMed:22869371
MethodsX-ray diffraction
Resolution1.2 - 1.87 Å
Structure data

PDB-4ej5:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-4el4:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-4elc:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-IMD:
IMIDAZOLE

ChemComp-CO3:
CARBONATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-LMR:
(2S)-2-hydroxybutanedioic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-LI:
Unknown entry

Source
  • clostridium botulinum (bacteria)
KeywordsHYDROLASE / Metalloprotease / peptidase M27 superfamily / Clostridial neurotoxin zinc protease / Human target snap-25

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