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Article

A theoretical investigation of the functional role of the axial methionine ligand of the Cu(A) site in cytochrome c oxidase.

Biochimica et biophysica acta - 1 Oct 2011

Kang Jiyoung, Kino Hiori, Tateno Masaru

Abstract excerpt

The functional roles of the amino acid residues of the Cu(A) site in bovine cytochrome c oxidase (CcO) were investigated by utilizing hybrid quantum mechanics (QM)/molecular mechanics (MM) calculations. The energy levels of the molecular orbitals (MOs) involving Cu d(zx) orbitals unexpectedly increased, as compared with those found previously with a simplified model system lacking the axial Met residue (i.e.,...

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PMID: 21745457
DOI: 10.1016/j.bbabio.2011.06.014

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

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