Abstract:Terpene synthases are responsible for the biosynthesis of terpenes, the largest family of natural products. Hydropyrene synthase generates hydropyrene and hydropyrenol as its main products along with two byproducts, isoelisabethatriene A and B. Fascinatingly, a single active site mutation (M75L) diverts the product distribution towards isoelisabethatriene A and B. In the current work, we study the competing pathways leading to these products using quantum chemical calculations in the gas-phase. We show that th… Show more
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