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. 2017 Aug 14;56(34):10098-10102.
doi: 10.1002/anie.201612065. Epub 2017 Feb 3.

The Nickel-Pincer Complex in Lactate Racemase Is an Electron Relay and Sink that acts through Proton-Coupled Electron Transfer

Binju Wang  1 , Sason Shaik  1
Affiliations

The Nickel-Pincer Complex in Lactate Racemase Is an Electron Relay and Sink that acts through Proton-Coupled Electron Transfer

Binju Wang et al. Angew Chem Int Ed Engl. .

Abstract

QM/MM calculations reveal that the nickel pincer complex in lactate racemase functions as a reversible "single-center electrode" that accepts and donates back an electron. In this way, it catalyzes the isomerization process d-lactate⇌l-lactate through successive proton-coupled electron-transfer steps.

Keywords: QM/MM calculations; enzyme mechanisms; lactate racemase; metalloenzymes; pincer complexes.

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