Ab Initio Molecular Orbital Study of the Catalytic Mechanism of Glycosyltransferases: Description of Reaction Pathways and Determination of Transition-State Structures for InvertingN-Acetylglucosaminyltransferases

Abstract

The catalytic mechanism of the GlcNAc transfer by inverting N-acetylglucosaminyltransferases is explored for the first time using ab initio quantum chemical methods. The structural model describing...