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Abstract
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.
Data 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. http://dx.doi.org/10.7488/ds/2103.
| Date made available | 26 Jul 2017 |
|---|---|
| Publisher | Edinburgh DataShare |
Research output
- 1 Article
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Structural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45)
Ekström, A. G., Kelly, V., Marles-wright, J., Cockroft, S. L. & Campopiano, D. J., 17 Jul 2017, (E-pub ahead of print) In: Organic & Biomolecular chemistry. 15, 30, p. 6310-6313Research output: Contribution to journal › Article › peer-review
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