6ZSQ

Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking

This is a non-PDB format compatible entry.

Summary for 6ZSQ

• Entry DOI: 10.2210/pdb6zsq/pdb
• Descriptor: Beta-lactoglobulin, AMMONIA, PLATINUM (II) ION, ... (5 entities in total)
• Functional Keywords: complex, drug delivery system, cisplatin, transport protein
• Biological source: Bos taurus (Bovine)
• Total number of polymer chains: 2
• Total formula weight: 37452.85

Authors

Balasco, N.,Ferraro, G.,Merlino, A. (deposition date: 2020-07-16, release date: 2020-09-30, Last modification date: 2024-11-06)

Primary citation

Balasco, N.,Ferraro, G.,Loreto, D.,Iacobucci, I.,Monti, M.,Merlino, A.
Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49:12450-12457, 2020

PubMed Abstract: β-Lactoglobulin is a major globular milk whey carrier with potential applications as an oral drug delivery system. Herein, the interactions between β-lactoglobulin and cisplatin are investigated by UV-Vis absorption spectroscopy, circular dichroism, X-ray crystallography and electrospray ionization mass spectrometry. Structural data indicate that the protein retains its conformation upon cisplatin binding. Pt-containing fragments bind the side chains of Met7, His146 and Lys8, with the number of binding sites increasing over time. Mass spectrometry data indicate that [Pt(NH3)2Cl+], [Pt(NH3)2OH22+] and [Pt(NH3)22+] fragments interact with β-lactoglobulin; up to 3 cisplatin fragments can bind the protein and the number of cisplatin binding sites increases over time. This work opens a new pathway in pharmaceutical studies based on a rational design of metal-based drug/β-lactoglobulin adducts as delivering vehicles of metallodrugs.

PubMed: 32852026
DOI: 10.1039/d0dt02582h

Experimental method

X-RAY DIFFRACTION (2.004 Å)