FeMoco

FeMoco (FeMo cofactor) is the primary cofactor of nitrogenase. Nitrogenase is the enzyme that catalyzes the conversion of atmospheric nitrogen molecules N₂ into ammonia (NH₃) through the process known as nitrogen fixation. Studying FeMoco's role in the reaction mechanism for nitrogen fixation is a potential use case for quantum computers. Even limited quantum computers could enable better simulations of the reaction mechanism.^[2] Because it contains iron and molybdenum, the cofactor is called FeMoco. Its stoichiometry is Fe₇MoS₉C.

^ Einsle O, Rees DC (June 2020). "Structural Enzymology of Nitrogenase Enzymes". Chemical Reviews. 120 (12): 4969–5004. doi:10.1021/acs.chemrev.0c00067. PMC 8606229. PMID 32538623. S2CID 219703833.
^ Reiher M, Wiebe N, Svore KM, Wecker D, Troyer M (July 2017). "Elucidating reaction mechanisms on quantum computers". Proceedings of the National Academy of Sciences of the United States of America. 114 (29): 7555–7560. arXiv:1605.03590. Bibcode:2017PNAS..114.7555R. doi:10.1073/pnas.1619152114. PMC 5530650. PMID 28674011.

[1] Einsle O, Rees DC (June 2020). "Structural Enzymology of Nitrogenase Enzymes". Chemical Reviews. 120 (12): 4969–5004. doi:10.1021/acs.chemrev.0c00067. PMC 8606229. PMID 32538623. S2CID 219703833.

[:1-2] Reiher M, Wiebe N, Svore KM, Wecker D, Troyer M (July 2017). "Elucidating reaction mechanisms on quantum computers". Proceedings of the National Academy of Sciences of the United States of America. 114 (29): 7555–7560. arXiv:1605.03590. Bibcode:2017PNAS..114.7555R. doi:10.1073/pnas.1619152114. PMC 5530650. PMID 28674011.

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