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Depositordc.contributorKelly, Van
Funderdc.contributor.otherBBSRC - Biotechnology and Biological Sciences Research Councilen_UK
Funderdc.contributor.otherEPSRC - Engineering and Physical Sciences Research Councilen_UK
Spatial Coveragedc.coverage.spatialUKen
Spatial Coveragedc.coverage.spatialUNITED KINGDOMen
Data Creatordc.creatorEkström, Alex
Data Creatordc.creatorKelly, Van
Data Creatordc.creatorMarles-Wright, Jon
Data Creatordc.creatorCockroft, Scott
Data Creatordc.creatorCampopiano, Dominic
Date Accessioneddc.date.accessioned2017-07-26T15:28:17Z
Date Availabledc.date.available2017-07-26T15:28:17Z
Citationdc.identifier.citationEkström, 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.en
Persistent Identifierdc.identifier.urihttp://hdl.handle.net/10283/2776
Persistent Identifierdc.identifier.urihttps://doi.org/10.7488/ds/2103
Dataset Description (abstract)dc.description.abstractWe 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.en_UK
Languagedc.language.isoengen_UK
Publisherdc.publisherUniversity of Edinburgh. School of Chemistryen_UK
Relation (Is Referenced By)dc.relation.isreferencedbyhttps://doi.org/10.1039/C7OB01396Een_UK
Rightsdc.rightsCreative Commons Attribution 4.0 International Public Licenseen
Subject Classificationdc.subject.classificationPhysical Sciences::Chemistryen_UK
Titledc.titleStructural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45)en_UK
Typedc.typedataseten_UK

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