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Understanding the Electronic Structure Basis for N(2) Binding to FeMoco: A Systematic Quantum Mechanics/Molecular Mechanics Investigation
[Image: see text] The FeMo cofactor (FeMoco) of Mo nitrogenase is responsible for reducing dinitrogen to ammonia, but it requires the addition of 3–4 e(–)/H(+) pairs before N(2) even binds. A binding site at the Fe2/Fe3/Fe6/Fe7 face of the cofactor has long been suggested based on mutation studies,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10091479/ https://www.ncbi.nlm.nih.gov/pubmed/36988551 http://dx.doi.org/10.1021/acs.inorgchem.2c03967 |