B3LYP Study on Reduction Mechanisms from O₂ to H₂O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome 𝑐 Oxidases

Table 1

Oxidation States of Electron Sites and Number of Electrons (𝑁_e) Relevant to O₂ Reduction in FO, FR, and MV CcO.

	CuA	Heme a	Heme 𝑎3	CuB	Ne
FO	II	III	III	II	0
FR	I	II	II	I	4
MV	II	III	II	I	2