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Structure paper

TitleCovalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
Journal, issue, pagesTo be Published
Publish dateMay 17, 2013 (structure data deposition date)
AuthorsGuitot, K. / Vera, L. / Le Roux, L. / Bregant, S. / Ptchelkine, D. / Beau, F. / Stura, E.A. / Dive, V.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.697 - 2.59 Å
Structure data

PDB-4ks6:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-4ktx:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-4kuf:
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder
Method: X-RAY DIFFRACTION / Resolution: 1.697 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

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

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

ChemComp-NA:
Unknown entry

Source
  • clostridium botulinum a (bacteria)
  • synthetic construct (others)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Clostridial neurotoxin zinc protease / Peptidase_M27 / SNAP 25 / covalent inhibition / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE

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