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Enzymatic reversion of Pt(II) nucleophilicity through charge dumping: the case of Pt(CN)42
Sergi Burguera1, Antonio Frontera1, Antonio Bauzá1
1Departament de Química, Universitat de les Illes Balears, Ctra. de Valldemossa Km 7.5, 07122, Palma de Mallorca, Baleares, Spain. antonio.bauza@uib.es.
Abstract:
Combining computations and X-ray structure analysis we have demonstrated that [Pt(CN4)]2- can behave as a Lewis acid inside an enzyme's cavity. The nature of a counterintuitive contact found between a catalytically active GLN residue belonging to a mitochondrial synthase and the Pt(II) center was investigated by combining molecular dynamics and quantum mechanics calculations. Results confirm the electron acceptor role of [Pt(CN4)]2-, serving as an inspiration for the design of biomolecular cages able to tweak the nucleophilic/electrophilic character of an organometallic compound.
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