Lactate racemase (LarA), a new nickel enzyme discovered recently, catalyzes the racemization between d‐ and l‐lactates with a novel nickel pincer cofactor (Ni‐PTTMN) derived from nicotinic acid. In this study, by using DFT and a 200‐atom active‐site model, LarA is revealed to employ a modified proton‐coupled hydride‐transfer mechanism in which a hydride is transferred to a cofactor pyridine carbon...
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