7NQB
X.ray structure of the oxaliplatin/beta-lactoglobulin adduct
This is a non-PDB format compatible entry.
Summary for 7NQB
| Entry DOI | 10.2210/pdb7nqb/pdb |
| Descriptor | Beta-lactoglobulin, PLATINUM (II) ION (3 entities in total) |
| Functional Keywords | beta-lactoglobulin, oxaliplatin, metal-based drugs, drug delivery, protein-metalation, transport protein |
| Biological source | Bos taurus (Bovine) |
| Total number of polymer chains | 2 |
| Total formula weight | 36797.43 |
| Authors | Merlino, A.,Loreto, D.,Ferraro, G. (deposition date: 2021-03-01, release date: 2022-03-23, Last modification date: 2024-11-20) |
| Primary citation | Monti, D.M.,Loreto, D.,Iacobucci, I.,Ferraro, G.,Pratesi, A.,D'Elia, L.,Monti, M.,Merlino, A. Protein-Based Delivery Systems for Anticancer Metallodrugs: Structure and Biological Activity of the Oxaliplatin/ beta-Lactoglobulin Adduct. Pharmaceuticals, 15:-, 2022 Cited by PubMed Abstract: β-lactoglobulin is the major component of whey. Here, the adduct formed upon the reaction of the protein with oxaliplatin (OXA) has been prepared, structurally characterized by X-ray crystallography and electrospray ionization-mass spectrometry, and evaluated as a cytotoxic agent. The data demonstrate that OXA rapidly binds β-lactoglobulin via coordination with a Met7 side chain upon release of the oxalate ligand. The adduct is significantly more cytotoxic than the free drug and induces apoptosis in cancer cells. Overall, our results suggest that metallodrug/β-lactoglobulin adducts can be used as anticancer agents and that the protein can be used as a metallodrug delivery system. PubMed: 35455422DOI: 10.3390/ph15040425 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.01 Å) |
Structure validation
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