Discovery and Mechanistic Investigation of a Bacteria-Derived Sesquiterpene Ether Synthase AceS Catalyzing Syn -Protoetherification
In the authors' words
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Main result
We herein report the discovery and mechanistic investigation of a bacteria-derived sesquiterpene synthase AceS, converting farnesyl diphosphate to acorenol ether (1) in a syn-protoetherification manner.
Limitation the authors admit
Results obtained from density functional theory (DFT) calculations, protein structure-guided site-directed mutagenesis, isolation and structural characterization of the products generated by the mutants, and protein–ligand docking simulations suggested cyclization through bisabolyl-dunnienyl cations as the favored pathway, albeit the coexistence of a pathway through carotenyl cations is also possible.
Appeared: Monday, September 28. Journal of the American Chemical Society. Peer-reviewed journal.
DOI: 10.1021/jacs.6c13500