Ontology highlight
ABSTRACT:
SUBMITTER: Lucas MF
PROVIDER: S-EPMC3132828 | biostudies-literature | 2011 Oct
REPOSITORIES: biostudies-literature
Lucas M Fátima MF Rousseau Denis L DL Guallar Victor V
Biochimica et biophysica acta 20110316 10
Mixed quantum mechanical/molecular mechanics calculations were used to explore the electron pathway of the terminal electron transfer enzyme, cytochrome c oxidase. This enzyme catalyzes the reduction of molecular oxygen to water in a multiple step process. Density functional calculations on the three redox centers allowed for the characterization of the electron transfer mechanism, following the sequence Cu(A)→heme a→heme a(3). This process is largely affected by the presence of positive charges ...[more]