PDBsum entry 5obc

Hydrolase

PDB id: 5obc

Contents

Protein chains

124 a.a.

Ligands

RU2 ×2

PO4 ×2

9Q8

Waters ×196

PDB id:

5obc

Name:

Hydrolase

Title:

X-ray structure of the adduct formed upon reaction of ribonuclease a with the compound fac-[ruii(co)3cl2(n3-im), im=imidazole

Structure:

Ribonuclease pancreatic. Chain: a, b. Synonym: rnase 1,rnase a. Ec: 3.1.27.5

Source:

Bos taurus. Bovine. Organism_taxid: 9913

Resolution:

2.07Å R-factor: 0.186 R-free: 0.272

Authors:

N.Pontillo,G.Ferraro,A.Merlino

Key ref:

N.Pontillo et al. (2017). 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. PubMed id: 28702564 DOI: 10.1039/c7dt01991b

Date:

26-Jun-17 Release date: 26-Jul-17

Protein chains

P61823  (RNAS1_BOVIN) -  Ribonuclease pancreatic from Bos taurus

Seq: 150 a.a.

Struc: 124 a.a.

Enzyme reactions

• Enzyme class: E.C.4.6.1.18 - pancreatic ribonuclease.
• Reaction:
  1. an [RNA] containing cytidine + H2O = an [RNA]-3'-cytidine- 3'-phosphate + a 5'-hydroxy-ribonucleotide-3'-[RNA]
  2. an [RNA] containing uridine + H2O = an [RNA]-3'-uridine-3'-phosphate + a 5'-hydroxy-ribonucleotide-3'-[RNA]

DOI no: 10.1039/c7dt01991b

Dalton Trans 46:9621-9629 (2017)

PubMed id: 28702564

Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.

N.Pontillo, G.Ferraro, L.Messori, G.Tamasi, A.Merlino.

ABSTRACT

fac-[Ru^II(CO)₃Cl₂(N³-Imidazole)] (Ru^IIIM), fac-[Ru^II(CO)₃Cl₂(N³-methyl-imidazole)] (Ru^IIMIM) and fac-[Ru^II(CO)₃Cl₂(N³-methyl-benzimidazole)] (Ru^IIMBI) 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 Ru^IIIM and Ru^IIMIM 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.