7Q0U

Lysozyme soaked with V(IV)OSO4 and bipy

7Q0U の概要

• エントリーDOI: 10.2210/pdb7q0u/pdb
• 分子名称: Lysozyme, 2,2'-bipyridine, VANADIUM ION, ... (8 entities in total)
• 機能のキーワード: protein-metal binding, hydrolase
• 由来する生物種: Gallus gallus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14813.58

構造登録者

Santos, M.F.A.,Fernandes, A.C.P.,Correia, I.,Sciortino, G.,Garribba, E.,Santos-Silva, T.,Pessoa, J.C. (登録日: 2021-10-16, 公開日: 2022-05-25, 最終更新日: 2024-01-31)

主引用文献

Santos, M.F.A.,Sciortino, G.,Correia, I.,Fernandes, A.C.P.,Santos-Silva, T.,Pisanu, F.,Garribba, E.,Costa Pessoa, J.
Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28:e202200105-e202200105, 2022

PubMed Abstract: Vanadium compounds have frequently been proposed as therapeutics, but their application has been hampered by the lack of information on the different V-containing species that may form and how these interact with blood and cell proteins, and with enzymes. Herein, we report several resolved crystal structures of lysozyme with bound V O and V OL , where L=2,2'-bipyridine or 1,10-phenanthroline (phen), and of trypsin with V O(picolinato) and V O (phen) moieties. Computational studies complete the refinement and shed light on the relevant role of hydrophobic interactions, hydrogen bonds, and microsolvation in stabilizating the structure. Noteworthy is that the trypsin-V O (phen) and trypsin-V O(OH)(phen) adducts correspond to similar energies, thus suggesting a possible interconversion under physiological/biological conditions. The obtained data support the relevance of hydrolysis of V and V complexes in the several types of binding established with proteins and the formation of different adducts that might contribute to their pharmacological action, and significantly widen our knowledge of vanadium-protein interactions.

PubMed: 35486702
DOI: 10.1002/chem.202200105

実験手法

X-RAY DIFFRACTION (1.19 Å)