1bto
HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE
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OverviewOverview
Thiolane 1-oxides are analogs of the carbonyl substrates that bind to the, alcohol dehydrogenase-NADH complex and are potent uncompetitive inhibitors, against alcohol [Chadha, V. K., et al. (1985) J. Med. Chem. 28, 36-40]., The four stereoisomers of 3-butylthiolane 1-oxide (BTO) were separated by, chiral phase chromatography. CD and 1H-NMR spectra identified the, enantiomeric pairs. 1H-NMR chemical shifts were assigned on the basis of, COSY spectra of both diastereoisomers and confirmed by HMQC spectra., Coupling constants were determined through one-dimensional decoupling, experiments. NMR with chiral shift reagents, Eu(hfc)3 [europium tris, [3-[(heptafluoropropyl)hydroxymethylene]-(+)-camphorate]] or, (R)-(-)-N-(3,5-dinitrobenzoyl)-alpha-methylbenzylamine, determined that, the most ... [(full description)]
About this StructureAbout this Structure
1BTO is a [Single protein] structure of sequence from [Equus caballus] with ZN, NAD and SSB as [ligands]. Active as [[1]], with EC number [1.1.1.1]. Full crystallographic information is available from [OCA].
ReferenceReference
Flexibility of liver alcohol dehydrogenase in stereoselective binding of 3-butylthiolane 1-oxides., Cho H, Ramaswamy S, Plapp BV, Biochemistry. 1997 Jan 14;36(2):382-9. PMID:9003191
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