5OBC

X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole

5OBC の概要

• エントリーDOI: 10.2210/pdb5obc/pdb
• 分子名称: Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: protein-metallodrug interaction, co releasing molecules, hydrolase
• 由来する生物種: Bos taurus (Bovine)
• 細胞内の位置: Secreted: P61823
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 28281.03

構造登録者

Pontillo, N.,Ferraro, G.,Merlino, A. (登録日: 2017-06-26, 公開日: 2017-07-26, 最終更新日: 2024-11-06)

主引用文献

Pontillo, N.,Ferraro, G.,Messori, L.,Tamasi, G.,Merlino, A.
Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46:9621-9629, 2017

PubMed Abstract: fac-[Ru(CO)Cl(N-Imidazole)] (RuIM), fac-[Ru(CO)Cl(N-methyl-imidazole)] (RuMIM) and fac-[Ru(CO)Cl(N-methyl-benzimidazole)] (RuMBI) are three ruthenium based CO releasing molecules (Ru-CORMs) that are cytotoxic towards ovarian and colon carcinoma cell lines. Detailed structural information on the adducts formed upon reaction of RuIM and RuMIM with hen egg white lysozyme and of the three Ru-CORMs with bovine pancreatic ribonuclease is provided here by X-ray crystallography. Comparative analysis of seven crystal structures of these adducts allows one to delineate some general trends in the reactivity of these Ru-CORMs with proteins. Indeed, in all cases Ru-CORMs bind these model systems upon detachment of the azole ligand and concomitant coordination to a protein His or Asp residue. Apparently the three Ru-CORMs progressively dissociate losing azoles, chlorides, and one or two CO molecules. Data were compared with those reported in the literature for adducts of the same proteins with other Ru-CORMs and with in-solution data previously obtained on the same systems. These results are potentially useful for a better understanding of the chemistry, potential toxicity and mechanism of actions of these interesting Ru-CORMs and are helpful in defining the molecular mechanisms of CO release.

PubMed: 28702564
DOI: 10.1039/c7dt01991b

実験手法

X-RAY DIFFRACTION (2.07 Å)