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

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...

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Veröffentlicht in:	The journal of physical chemistry. B 2024-08, Vol.128 (31), p.7476-7485
Hauptverfasser:	Rao, Deming, Zhu, Lin, Liu, Weiqiong, Guo, Zhiyong
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Biophysical and Biochemical Systems and Processes Biocatalysis Glycosyltransferases - chemistry Glycosyltransferases - metabolism Hydrogen Bonding Molecular Dynamics Simulation Quantum Theory
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