5JML

X-ray structure of the complex between bovine pancreatic ribonuclease and penthachlorocarbonyliridate(III) (2 months of soaking)

Summary for 5JML

• Entry DOI: 10.2210/pdb5jml/pdb
• Descriptor: Ribonuclease pancreatic, IRIDIUM ION, OXYGEN ATOM, ... (6 entities in total)
• Functional Keywords: hydrolase, iridium compound, corm, protein iridium interaction
• Biological source: Bos taurus (Bovine)
• Cellular location: Secreted: P61823
• Total number of polymer chains: 2
• Total formula weight: 29259.69

Authors

Caterino, M.,Petruk, A.A.,Vergara, A.,Ferraro, G.,Merlino, A. (deposition date: 2016-04-29, release date: 2016-07-27, Last modification date: 2024-10-16)

Primary citation

Caterino, M.,Petruk, A.A.,Vergara, A.,Ferraro, G.,Marasco, D.,Doctorovich, F.,Estrin, D.A.,Merlino, A.
Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
Dalton Trans, 45:12206-12214, 2016

PubMed Abstract: A combination of mass spectrometry, Raman microspectroscopy, circular dichroism and X-ray crystallography has been used to obtain detailed information on the reaction of an iridium-based CO-releasing molecule (Ir-CORM), Cs2IrCl5CO, with a model protein, bovine pancreatic ribonuclease. The results show that Ir-compound fragments bind to the N-terminal amine and close to histidine and methionine side chains, and the CO ligand is retained for a long time. The data provide helpful information for identifying protein targets for Ir-CORMs and for studying the mechanism that allows them to exhibit their interesting biological properties.

PubMed: 27411388
DOI: 10.1039/c6dt01685e

Experimental method

X-RAY DIFFRACTION (2.29 Å)