7BD0

The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours.

7BD0 の概要

• エントリーDOI: 10.2210/pdb7bd0/pdb
• 関連するPDBエントリー: 7BCX
• 分子名称: Lysozyme, 1,2-ETHANEDIOL, SODIUM ION, ... (7 entities in total)
• 機能のキーワード: ru(iii), nami-a, hewl, anti-cancer, 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: 15105.64

構造登録者

Chiniadis, L.,Giastas, P.,Bratsos, I.,Papakyriakou, A. (登録日: 2020-12-21, 公開日: 2021-07-28, 最終更新日: 2024-11-20)

主引用文献

Chiniadis, L.,Giastas, P.,Bratsos, I.,Papakyriakou, A.
Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60:10729-10737, 2021

PubMed Abstract: The pharmacological profile of medicinally relevant Ru(III) coordination compounds has been ascribed to their interactions with proteins, as several studies have provided evidence that DNA is not the primary target. In this regard, numerous spectroscopic and crystallographic studies have indicated that the Ru(III) ligands play an important role in determining the metal binding site, acting as the recognition element in the early stages of the protein-complex formation. Herein, we present a series of near-atomic-resolution X-ray crystal structures of the adducts formed between the antimetastatic metallodrug imidazolium -[tetrachlorido(-dimethyl sufoxide)(1-imidazole)ruthenate(III)] () and hen egg-white lysozyme (HEWL). These structures elucidate a series of binding events starting from the noncovalent interaction of intact ions with HEWL (1.5 h), followed by the stepwise exchange of all Ru ligands except for 1-imidazole (26 h) to the final "ruthenated" protein comprising one aquated Ru ion coordinated to histidine-15 of HEWL (98 h). Our structural data clearly support a two-step mechanism of protein ruthenation, illustrating the ligand-mediated recognition step of the process.

PubMed: 34197115
DOI: 10.1021/acs.inorgchem.1c01441

実験手法

X-RAY DIFFRACTION (1.06 Å)