7BDZ

X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1)

これはPDB形式変換不可エントリーです。

7BDZ の概要

• エントリーDOI: 10.2210/pdb7bdz/pdb
• 分子名称: Lysozyme, NITRATE ION, ACETATE ION, ... (6 entities in total)
• 機能のキーワード: metallodrug, metal/protein adduct, bimetallic compounds, hydrolase
• 由来する生物種: Gallus gallus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15838.27

構造登録者

Loreto, D.,Merlino, A.,Ferraro, G. (登録日: 2020-12-22, 公開日: 2021-02-24, 最終更新日: 2024-11-20)

主引用文献

Loreto, D.,Ferraro, G.,Merlino, A.
Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22:-, 2021

PubMed Abstract: The structures of the adducts formed upon reaction of the cytotoxic paddlewheel dirhodium complex [Rh(μ-OCCH)] with the model protein hen egg white lysozyme (HEWL) under different experimental conditions are reported. Results indicate that [Rh(μ-OCCH)] extensively reacts with HEWL:it in part breaks down, at variance with what happens in reactions with other proteins. A Rh center coordinates the side chains of Arg14 and His15. Dimeric Rh-Rh units with Rh-Rh distances between 2.3 and 2.5 Å are bound to the side chains of Asp18, Asp101, Asn93, and Lys96, while a dirhodium unit with a Rh-Rh distance of 3.2-3.4 Å binds the C-terminal carboxylate and the side chain of Lys13 at the interface between two symmetry-related molecules. An additional monometallic fragment binds the side chain of Lys33. These data, which are supported by replicated structural determinations, shed light on the reactivity of dirhodium tetracarboxylates with proteins, providing useful information for the design of new Rh-containing biomaterials with an array of potential applications in the field of catalysis or of medicinal chemistry and valuable insight into the mechanism of action of these potential anticancer agents.

PubMed: 33540880
DOI: 10.3390/ijms22031496

実験手法

X-RAY DIFFRACTION (1.94 Å)