Jump to main content
Jump to site search

Issue 28, 2018
Previous Article Next Article

How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis

Author affiliations

Abstract

Our quantum chemical activation strain analyses demonstrate how Mg2+ lowers the barrier of the enzymatic triphosphate hydrolysis through two distinct mechanisms: (a) weakening of the leaving-group bond, thereby decreasing activation strain; and (b) transition state (TS) stabilization through enhanced electrophilicity of the triphosphate PPP substrate, thereby strengthening the interaction with the nucleophile.

Graphical abstract: How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis

Back to tab navigation

Supplementary files

Article information


Submitted
26 Jan 2018
Accepted
07 Mar 2018
First published
07 Mar 2018

Chem. Commun., 2018,54, 3448-3451
Article type
Communication

How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis

M. A. van Bochove, G. Roos, C. Fonseca Guerra, T. A. Hamlin and F. M. Bickelhaupt, Chem. Commun., 2018, 54, 3448
DOI: 10.1039/C8CC00700D

Social activity

Search articles by author

Spotlight

Advertisements