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In an effort to expand the catalytic capabilities of Mb-based carbene transferases, Carminati and Fasan 263 combined an unnatural ligand NMH with a non-native electron-deficient heme analogue iron-2,4-diacetyl deuteroporphyrin IX (Fe(DADP)) in Mb* (Figure 10e)

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In a recent application of PCET theory, Batista et al.’s QM/MM model predicts deprotonation of an aqua ligand bound to the dangler manganese Mn(4) by an OH − ligand on Mn(3) (eq 81) resulting in conformational H-bond changes that effect O-O bond formation in the S 4 state