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TitleDisentangling the formation, mechanism, and evolvement of the covalent methanesulfonyl fluoride acetylcholinesterase adduct: Insights into an aged-like inactive complex susceptible to reactivation by a combination of nucleophiles.
Journal, issue, pagesProtein Sci., Vol. 33, Page e4977-e4977, Year 2024
Publish dateOct 29, 2015 (structure data deposition date)
AuthorsStojan, J. / Pesaresi, A. / Meden, A. / Lamba, D.
External linksProtein Sci. / PubMed:38591646
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-5ehx:
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5ei5:
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker)
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-03S:
methanesulfonic acid

ChemComp-AE4:
3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL

ChemComp-HOH:
WATER

ChemComp-AA7:
N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / alpha beta hydrolase / irreversible inhibitor

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