Uridine diphosphate release mechanism in O-N-acetylglucosamine (O-GlcNAc) transferase catalysis - She, Nai; Zhao, Yuan; Hao, Jingjing; Xie, Songqiang; Wang, Chaojie (Biochimica et biophysica acta. General subjects, 2019)
Keywords: active sites; catalytic activity; Gibbs free energy; hydrogen bonding; ligands; moieties; Molecular dynamics; mutants; N-acetylglucosamine; O-GlcNAc transferase; protein N-acetylglucosaminyltransferase; Release mechanism; sampling; serine; threonine; UDP; Umbrella sampling; uridine diphosphate; UDP; Molecular dynamics; O-GlcNAc transferase; Umbrella sampling; Release mechanism