Molecular Mechanism of Double-Displacement Retaining β‑Kdo Glycosyltransferase WbbB

• Published in: The journal of physical chemistry. B Vol. 128; no. 31; pp. 7476 - 7485
• Main Authors: Rao, Deming, Zhu, Lin, Liu, Weiqiong, Guo, Zhiyong
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 08.08.2024
• Subjects: B: Biophysical and Biochemical Systems and Processes; Biocatalysis; carbon; glycosides; glycosidic linkages; glycosylation; glycosyltransferases; Glycosyltransferases - chemistry; Glycosyltransferases - metabolism; Hydrogen Bonding; hydrolases; Lewis bases; moieties; Molecular Dynamics Simulation; phosphates; Quantum Theory; sugars

Glycosyltransferases (GTs) are pivotal enzymes involved in glycosidic bond synthesis, which can lead to either retention or inversion of the glycosyl moiety’s anomeric configuration. However, the catalytic mechanism for retaining GTs remains a subject of controversy. In this study, we employ MD and...