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8OQC

Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)

8OQC の概要
エントリーDOI10.2210/pdb8oqc/pdb
分子名称Ribonuclease pancreatic, tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II), FORMIC ACID, ... (6 entities in total)
機能のキーワードmetal/protein adduct, dirhodium tetraacettate, catalysis, porous material, hydrolase
由来する生物種Bos taurus (cattle)
タンパク質・核酸の鎖数1
化学式量合計14691.26
構造登録者
Loreto, D.,Merlino, A.,Maity, B.,Ueno, T. (登録日: 2023-04-12, 公開日: 2023-06-14, 最終更新日: 2024-10-16)
主引用文献Loreto, D.,Maity, B.,Morita, T.,Nakamura, H.,Merlino, A.,Ueno, T.
Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62:7515-7524, 2023
Cited by
PubMed Abstract: Due to their unique coordination structure, dirhodium paddlewheel complexes are of interest in several research fields, like medicinal chemistry, catalysis, etc. Previously, these complexes were conjugated to proteins and peptides for developing artificial metalloenzymes as homogeneous catalysts. Fixation of dirhodium complexes into protein crystals is interesting to develop heterogeneous catalysts. Porous solvent channels present in protein crystals can benefit the activity by increasing the probability of substrate collisions at the catalytic Rh binding sites. Toward this goal, the present work describes the use of bovine pancreatic ribonuclease (RNase A) crystals with a pore size of 4 nm (321 space group) for fixing [Rh(OAc)] and developing a heterogeneous catalyst to perform reactions in an aqueous medium. The structure of the [Rh(OAc)]/RNase A adduct was investigated by X-ray crystallography: the metal complex structure remains unperturbed upon protein binding. Using a number of crystal structures, metal complex accumulation over time, within the RNase A crystals, and structures at variable temperatures were evaluated. We also report the large-scale preparation of microcrystals (∼10-20 μm) of the [Rh(OAc)]/RNase A adduct and cross-linking reaction with glutaraldehyde. The catalytic olefin cyclopropanation reaction and self-coupling of diazo compounds by these cross-linked [Rh(OAc)]/RNase A crystals were demonstrated. The results of this work reveal that these systems can be used as heterogeneous catalysts to promote reactions in aqueous solution. Overall, our findings demonstrate that the dirhodium paddlewheel complexes can be fixed in porous biomolecule crystals, like those of RNase A, to prepare biohybrid materials for catalytic applications.
PubMed: 37144589
DOI: 10.1021/acs.inorgchem.3c00852
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.5 Å)
構造検証レポート
Validation report summary of 8oqc
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-23に公開中

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