Ontology highlight
ABSTRACT:
SUBMITTER: Ropke M
PROVIDER: S-EPMC7785131 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Röpke Michael M Saura Patricia P Riepl Daniel D Pöverlein Maximilian C MC Kaila Ville R I VRI
Journal of the American Chemical Society 20201216 52
The respiratory complex I is a gigantic (1 MDa) redox-driven proton pump that reduces the ubiquinone pool and generates proton motive force to power ATP synthesis in mitochondria. Despite resolved molecular structures and biochemical characterization of the enzyme from multiple organisms, its long-range (∼300 Å) proton-coupled electron transfer (PCET) mechanism remains unsolved. We employ here microsecond molecular dynamics simulations to probe the dynamics of the mammalian complex I in combinat ...[more]