Letter Cite This: J. Phys. Chem. Lett. 2019, 10, 3779−3787
pubs.acs.org/JPCL
Quantum Mechanical Description of Electrostatics Provides a Unified Picture of Catalytic Action Across Methyltransferases Zhongyue Yang, Fang Liu, Adam H. Steeves, and Heather J. Kulik* Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
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ABSTRACT: Methyl transferases (MTases) are a well-studied class of enzymes for which competing enzymatic enhancement mechanisms have been suggested, ranging from structural methyl group CH···X hydrogen bonds (HBs) to electrostatic- and chargetransfer-driven stabilization of the transition state (TS). We identified all Class I MTases for which reasonable resolution (
