An Epoxide Intermediate in Glycosidase Catalysis.
Sobala LF, Speciale G, Zhu S, Raich L, Sannikova N, Thompson AJ, Hakki Z, Lu D, Shamsi Kazem Abadi S, Lewis AR, Rojas-Cervellera V, Bernardo-Seisdedos G, Zhang Y, Millet O, Jiménez-Barbero J, Bennet AJ, Sollogoub M, Rovira C, Davies GJ, Williams SJ.
Sobala LF, et al.
ACS Cent Sci. 2020 May 27;6(5):760-770. doi: 10.1021/acscentsci.0c00111. Epub 2020 Apr 16.
ACS Cent Sci. 2020.
PMID: 32490192
Free PMC article.
Quantum mechanics/molecular mechanics modeling of the reaction coordinate predicted a reaction pathway through a 1,2-anhydro sugar via a transition state in an unusual flattened, envelope (E (3)) conformation. Kinetic isotope effects (k (cat)/K (M)) for anomeric-(2)H and a …
Quantum mechanics/molecular mechanics modeling of the reaction coordinate predicted a reaction pathway through a 1,2-anhydro sugar via a tra …