Breglia R1, Bruschi M1, Cosentino U1, De Gioia L2, Greco C3, Miyake T1, Moro G2.
Protein Eng Des Sel. 2016 Dec 19. doi: 10.1093/protein/gzw071. [Epub ahead of print]The Mo/Cu-dependent CO dehydrogenase from Oligotropha carboxidovorans is an enzyme that is able to catalyze CO oxidation to CO2; moreover, it can also oxidize H2, thus eliciting a characteristic EPR signal. Interestingly, the Ag-substituted enzyme form proved unable to catalyze H2 oxidation. In the present contribution, we characterized the reactivity of the enzyme with H2 by quantum-chemical calculations. Read More