9EX1

X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B)

これはPDB形式変換不可エントリーです。

9EX1 の概要

• エントリーDOI: 10.2210/pdb9ex1/pdb
• 分子名称: Lysozyme C, CHLORIDE ION, Polyoxidovanadate complex, ... (4 entities in total)
• 機能のキーワード: lysozyme, vanadium, acetoacetonate, pov, cluster, mixed valence, hydrolase
• 由来する生物種: Gallus gallus (chicken)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15658.72

構造登録者

Tito, G.,Merlino, A.,Ferraro, G. (登録日: 2024-04-05, 公開日: 2024-06-26, 最終更新日: 2024-10-23)

主引用文献

Tito, G.,Ferraro, G.,Pisanu, F.,Garribba, E.,Merlino, A.
Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme.
Angew.Chem.Int.Ed.Engl., 63:e202406669-e202406669, 2024

PubMed Abstract: The high-resolution X-ray structures of the model protein lysozyme in the presence of the potential drug [VIVO(acetylacetonato)2] from crystals grown in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 reveal the binding to the protein of different and unexpected mixed-valence cage-like polyoxidovanadates (POVs): [V15O36(OH2)]5-, which non-covalently interacts with the lysozyme surface, [V15O33(OH2)]+ and [V20O51(OH2)]n- (this latter based on an unusual {V18O43} cage) which covalently bind the protein. EPR spectroscopy confirms the partial oxidation of VIV to VV and the formation of mixed-valence species. The results indicate that the interaction with proteins can stabilize the structure of unexpected - both for dimension and architecture - POVs, not observed in aqueous solution.

PubMed: 38842919
DOI: 10.1002/anie.202406669

実験手法

X-RAY DIFFRACTION (1.785 Å)