Functional Models of the Nickel Pincer Nucleotide Cofactor of Lactate Racemase

A novel nickel pincer cofactor was recently discovered in lactate racemase. Reported here are three synthetic nickel pincer complexes that are both structural and functional models of the pincer cofactor in lactate racemase. DFT computations suggest the ipso‐carbon atom of the pyridinium pincer ligands act as a hydride acceptor for lactate isomerization, whereas an organometallic pathway involving nickel‐mediated β‐hydride elimination is less favored. Pinch‐hit: Reported here are the first functional mimics of the pincer cofactor of lactate racemase (LarA). The mimics are both structural and functional models of the pincer cofactor in lactate racemase. DFT computations suggest the ipso‐carbon atom of the pyridinium pincer ligands acts as a hydride acceptor for lactate isomerization, whereas an organometallic pathway involving nickel‐mediated β‐hydride elimination is less favored