Functional Switch and Ethyl Group Formation in the Bacterial Polytrichastrene Synthase from Chryseobacterium polytrichastri.

Authors :: Hou A
Goldfuss B
Dickschat JS
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2021 Sep 13; Vol. 60 (38), pp. 20781-20785. Date of Electronic Publication: 2021 Aug 13.
Publication Year :: 2021
Abstract: A reinvestigation of the linalool synthase from Chryseobacterium polytrichastri uncovered its diterpene synthase activity, yielding polytrichastrene A and polytrichastrol A with new skeletons, besides known wanju-2,5-diene and thunbergol. The enzyme mechanism was investigated by isotopic labeling experiments and DFT calculations to explain an unusual ethyl group formation. Rationally designed exchanges of active site residues showed major functional switches, resulting for I66F in the production of five more new compounds, including polytrichastrene B and polytrichastrol B, while A87T, A192V and the double exchange A87T, A192V gave a product shift towards wanju-2,5-diene.<br /> (© 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.)

Subjects :: Density Functional Theory
Molecular Conformation
Polyisoprenyl Phosphates chemistry
Chryseobacterium enzymology
Hydro-Lyases metabolism
Polyisoprenyl Phosphates biosynthesis

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