Computational characterization of enzyme-bound thiamin diphosphate reveals a surprisingly stable tricyclic state: implications for catalysis

Thiamin diphosphate (ThDP)-dependent enzymes constitute a large class of enzymes that catalyze a diverse range of reactions. Many are involved in stereospecific carbon–carbon bond formation and, consequently, have found increasing interest and utility as chiral catalysts in various biocatalytic appl...

Full description

Bibliographic Details
Main Authors: Ferran Planas, Michael J. McLeish, Fahmi Himo
Format: Article
Language:English
Published: Beilstein-Institut 2019-01-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
DFT
Online Access:https://doi.org/10.3762/bjoc.15.15