Structural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45)
Date Available
2017-07-26Type
datasetData Creator
Ekström, AlexKelly, Van
Marles-Wright, Jon
Cockroft, Scott
Campopiano, Dominic
Publisher
University of Edinburgh. School of ChemistryRelation (Is Referenced By)
https://doi.org/10.1039/C7OB01396EMetadata
Show full item recordAltmetric
Citation
Ekström, Alex; Kelly, Van; Marles-Wright, Jon; Cockroft, Scott; Campopiano, Dominic. (2017). Structural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45), [dataset]. University of Edinburgh. School of Chemistry. https://doi.org/10.7488/ds/2103.Description
We use mass spectrometry analysis and molecular modelling to show the established antimicrobial inhibitor 4,5-dichloro-1,2-dithiol-3-one (HR45) acts by forming a covalent adduct with the target β-ketoacyl-ACP synthase III (FabH). The 5-chloro substituent directs attack of the essential active site thiol (C112) via a Michael-type addition elimination reaction mechanism.
The following licence files are associated with this item:
