6ZSR

Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking

これはPDB形式変換不可エントリーです。

6ZSR の概要

• エントリーDOI: 10.2210/pdb6zsr/pdb
• 分子名称: Beta-lactoglobulin, AMMONIA, PLATINUM (II) ION, ... (5 entities in total)
• 機能のキーワード: complex, drug delivery system, cisplatin, transport protein
• 由来する生物種: Bos taurus (Bovine)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37803.93

構造登録者

Balasco, N.,Ferraro, G.,Merlino, A. (登録日: 2020-07-16, 公開日: 2020-09-30, 最終更新日: 2024-11-06)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.005 Å)