Literature DB >> 29537051

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

Marc A van Bochove1, Goedele Roos, Célia Fonseca Guerra, Trevor A Hamlin, F Matthias Bickelhaupt.   

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.

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Year:  2018        PMID： 29537051     DOI： 10.1039/c8cc00700d

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


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  4 in total

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