Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry

[Image: see text] X-ray diffraction data demonstrate that the adduct formed upon the reaction of dirhodium(II,II) tetraacetate with RNase A reacts with imidazole, leading to the formation of an unexpected product with the imidazole that binds the dirhodium center at an equatorial site rather than an...

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Detalles Bibliográficos
Autores principales: Loreto, Domenico, Fasulo, Francesca, Muñoz-García, Ana B., Pavone, Michele, Merlino, Antonello
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9175176/
https://www.ncbi.nlm.nih.gov/pubmed/35609175
http://dx.doi.org/10.1021/acs.inorgchem.2c01370
Descripción
Sumario:[Image: see text] X-ray diffraction data demonstrate that the adduct formed upon the reaction of dirhodium(II,II) tetraacetate with RNase A reacts with imidazole, leading to the formation of an unexpected product with the imidazole that binds the dirhodium center at an equatorial site rather than an axial site. The origin of this result has been dissected using quantum-chemical calculations.

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