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.
Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry / Loreto, Domenico; Fasulo, Francesca; Munoz Garcia, Ana B.; Pavone, Michele; Merlino, Antonello. - In: INORGANIC CHEMISTRY. - ISSN 1520-510X. - 61:22(2022), pp. 8402-8405. [10.1021/acs.inorgchem.2c01370]
Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry
Loreto, Domenico;Fasulo, Francesca;Munoz Garcia, Ana B.;Pavone, Michele
;Merlino, Antonello
2022
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
