Cytochrome oxidase is a membrane protein complex that catalyses reduction
of molecular oxygen to water and utilises the free energy of this reaction
to generate a transmembrane proton gradient during respiration. The electron
entry site in subunit II is a mixed-valence dinuclear copper centre in the
enzymes which oxidize cytochrome c. This centre has been lost during the
evolution of the quinol-oxidizing branch of cytochrome oxidases but can
be restored by engineering (Van der Oost et al. (1992) EMBO J. 11, 3209-3217).
Here we describe the crystal structures of the periplasmic fragment from
the wild-type CyoA subunit of the Escherichia coli quinol oxidase and of
the mutant with the engineered dinuclear copper centre ("purple CyoA")
at high resolution. CyoA is folded as an 11-stranded, mostly antiparallel
b-sandwich followed by three a-helices. The dinuclear copper centre is located
at the loops between strands b5-b6 and b9-b10. The two coppers are at 2.5
Å distance and symmetrically coordinated to the main ligands which
are two bridging cysteines and two terminal histidines. The residues that
are distinct in cytochrome c and quinol oxidases are around the dinuclear
copper centre. Structural comparison suggests a common ancestry for subunit
II of cytochrome oxidase and blue copper-binding proteins.