7R1P
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au1 with RNase A
This is a non-PDB format compatible entry.
Summary for 7R1P
| Entry DOI | 10.2210/pdb7r1p/pdb |
| Descriptor | Ribonuclease pancreatic, GOLD ION, SULFATE ION, ... (4 entities in total) |
| Functional Keywords | metallodrug, protein-metal interaction, gold, carbene, anticancer, rna binding protein |
| Biological source | Bos taurus (cattle) |
| Total number of polymer chains | 2 |
| Total formula weight | 27906.65 |
| Authors | Merlino, A.,Ferraro, G. (deposition date: 2022-02-03, release date: 2022-07-13, Last modification date: 2024-11-20) |
| Primary citation | Annunziata, A.,Ferraro, G.,Cucciolito, M.E.,Imbimbo, P.,Tuzi, A.,Monti, D.M.,Merlino, A.,Ruffo, F. Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems. Dalton Trans, 51:10475-10485, 2022 Cited by PubMed Abstract: New neutral carbene complexes of gold(I) [Au(Im-Me)X] (X = Cl, Au1; X = Br, Au2; X = I, Au3) have been synthesized and fully characterized by different techniques, including NMR and UV-vis absorption spectroscopy and single crystal X-ray diffraction. The carbene ligand Im-Me is decorated with a glucoside fragment a triazole linker, obtainable through a click chemistry reaction. The compounds retain the Au-NHC fragment in aqueous solvents, and an equilibrium between the neutral halo- and the cationic di-carbene form [Au(Im-Me)] is observed, whose extent follows the trend Au1 < Au2 < Au3. Cytotoxicity studies on two cancer and two non-tumorigenic cell lines reflect the solution behavior, as a certain difference among the complexes was disclosed, with the iodo complex Au3 being more active and selective. The compounds interact with both DNA and protein model systems. The X-ray structure of the adduct formed upon the reaction of Au1 with bovine pancreatic ribonuclease (RNase A) reveals Au binding at the side chain of His105 of both protein molecules A and B of the asymmetric unit. The binding of gold atoms at both the nitrogen atoms of the imidazole ring of His15 and at the N-terminal tail has been found in the adduct formed with hen egg white lysozyme. PubMed: 35766118DOI: 10.1039/d2dt00423b PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.42 Å) |
Structure validation
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