title: X-ray structure of linalool dehydratase/isomerase from Castellaniella defragrans reveals enzymatic alkene synthesis.
abstract: Linalool dehydratase/isomerase (Ldi), an enzyme of terpene degradation in Castellaniella defragrans, isomerizes the primary monoterpene alcohol geraniol into the tertiary alcohol (S)-linalool and dehydrates (S)-linalool to the alkene β-myrcene. Here we report on the crystal structures of Ldi with and without terpene substrates, revealing a cofactor-free homopentameric enzyme. The substrates were embedded inside a hydrophobic channel between two monomers of the (α,α)6 barrel fold class and flanked by three clusters of polar residues involved in acid-base catalysis. The detailed view into the active site will guide future biotechnological applications of Ldi, in particular, for industrial butadiene and isoprene production from renewable sources.
authors.affiliation: Department of Molecular Membrane Biology, Max Planck Institute of Biophysics, Frankfurt am Main, Germany.
authors.forename: Sina
authors.initials: S
authors.lastname: Weidenweber
authors.affiliation: Department of Microbiology, Max Planck Institute for Marine Microbiology, Bremen, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Marmulla
authors.affiliation: Department of Molecular Membrane Biology, Max Planck Institute of Biophysics, Frankfurt am Main, Germany.
authors.forename: Ulrich
authors.initials: U
authors.lastname: Ermler
authors.affiliation: Department of Microbiology, Max Planck Institute for Marine Microbiology, Bremen, Germany.
authors.forename: Jens
authors.initials: J
authors.lastname: Harder
mesh_terms: D042401:Alcaligenaceae / Q000201:enzymology; D000475:Alkenes / Q000737:chemistry / Q000378:metabolism; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D006836:Hydro-Lyases / Q000737:chemistry* / Q000378:metabolism
chemical_list: D000475:Alkenes; D006836:Hydro-Lyases; C561837:linalool dehydratase-isomerase, Castellaniella defragrans
keywords: (α,α)6 barrel; acid/base catalysis; isoprenoids; linalool dehydratase/isomerase; monoterpene degradation