Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
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ABSTRACT:
SUBMITTER: Loreto D
PROVIDER: S-EPMC9175176 | biostudies-literature | 2022 Jun
REPOSITORIES: biostudies-literature
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Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Loreto Domenico D Fasulo Francesca F Muñoz-García Ana B AB Pavone Michele M Merlino Antonello A
Inorganic chemistry 20220524 22
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. ...[more]
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