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蛋白质环境中咪唑与二铑中心的意外配位：来自X射线晶体学和量子化学的见解

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

作者信息

Loreto Domenico, Fasulo Francesca, Muñoz-García Ana B, Pavone Michele, Merlino Antonello

机构信息

Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.

Department of Physics "Ettore Pancini", University of Naples Federico II, Via Cintia, Napoli I-80126, Italy.

出版信息

Inorg Chem. 2022 Jun 6;61(22):8402-8405. doi: 10.1021/acs.inorgchem.2c01370. Epub 2022 May 24.

DOI:10.1021/acs.inorgchem.2c01370
PMID:35609175
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9175176/
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.

摘要

X射线衍射数据表明，四乙酸二铑（II,II）与核糖核酸酶A反应形成的加合物与咪唑反应，导致形成一种意想不到的产物，该产物中的咪唑在赤道位置而非轴向位置与铑中心结合。已通过量子化学计算剖析了这一结果的根源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/23c945d1b9b0/ic2c01370_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/df815a413eac/ic2c01370_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/a2b99d4d209d/ic2c01370_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/23c945d1b9b0/ic2c01370_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/df815a413eac/ic2c01370_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/a2b99d4d209d/ic2c01370_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec3/9175176/23c945d1b9b0/ic2c01370_0003.jpg

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本文引用的文献

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J Inorg Biochem. 2021 Nov;224:111556. doi: 10.1016/j.jinorgbio.2021.111556. Epub 2021 Jul 21.
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Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.二醋酸合二价铑与溶菌酶加合物的不寻常结构特征。
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Protein interactions of dirhodium tetraacetate: a structural study.二醋酸合二价钉的蛋白相互作用：结构研究。
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Dirhodium(II)-catalyzed [3 + 2] cycloaddition of -arylaminocyclopropane with alkyne derivatives.二铑（II）催化的 - 芳基氨基环丙烷与炔烃衍生物的[3 + 2]环加成反应。
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Photochemical and thermal hydrogen production from water catalyzed by carboxylate-bridged dirhodium(II) complexes.羧酸桥联二钌(II)配合物光化学和热化学催化水制氢。
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