6BO1

Mono-adduct formed after 3 days in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL

Summary for 6BO1

Entry DOI	10.2210/pdb6bo1/pdb
Descriptor	Lysozyme C, SODIUM ION, dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium, ... (4 entities in total)
Functional Keywords	metal-based, anticancer, ruthenium, nhc, carbene, lysozyme, metallodrug, benzimidazole, dimethylbenzimidazole, hydrolase
Biological source	Gallus gallus (Chicken)
Total number of polymer chains	1
Total formula weight	14672.32
Authors	Sullivan, M.P.,Hartinger, C.G.,Goldstone, D.C. (deposition date: 2017-11-17, release date: 2018-05-16, Last modification date: 2024-10-23)
Primary citation	Sullivan, M.P.,Nieuwoudt, M.K.,Bowmaker, G.A.,Lam, N.Y.S.,Truong, D.,Goldstone, D.C.,Hartinger, C.G. Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct. Chem. Commun. (Camb.), 54:6120-6123, 2018 Cited by PubMed Abstract: The first X-ray structures of adducts formed between a RuII(N-heterocyclic carbene)(η6-p-cymene) compound and a protein are reported. Coordination to the protein induced the cleavage of the cymene ligand and EPR spectroscopy demonstrated the oxidation of the Ru centre. PubMed: 29713703 DOI: 10.1039/c8cc02433b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.24 Å)

Structure validation