9S2A

X-ray structure of lysozyme obtained upon reaction with the dioxidovanadium(V) complex with thiophene-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide

これはPDB形式変換不可エントリーです。

9S2A の概要

• エントリーDOI: 10.2210/pdb9s2a/pdb
• 分子名称: Lysozyme C, SODIUM ION, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: vanadium compounds, protein metalation, 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: 15169.60

構造登録者

Paolillo, M.,Ferraro, G.,Merlino, A. (登録日: 2025-07-21, 公開日: 2026-04-01, 最終更新日: 2026-04-08)

主引用文献

Mohapatra, D.,Pattanayak, P.D.,Kaminsky, W.,Paolillo, M.,Tito, G.,Ferraro, G.,Merlino, A.,Dinda, R.
Binding of Aqueous-Stable, Lipophilic, Hemocompatible Anticancer V V O 2 Metallodrugs with Biological Molecules: X-ray Structures of the Adduct of the V V -hydrazonato Complex with Hen Egg White Lysozyme.
Inorg.Chem., 65:6412-6433, 2026

PubMed Abstract: Three new water-stable aqueous dioxidovanadium(V) complexes, [(VOL)M(HO)] (-), incorporating hydrazone ligands with different alkali metals (Na/K) as counterions were synthesized and characterized by various physicochemical approaches, including single-crystal X-ray diffraction (SCXRD). Time-dependent spectroscopic/spectrometric techniques were used to determine their aqueous-phase stabilities. Blood compatibility studies were employed to investigate their efficacy and stability with human red blood cells. Lipophilicity and calf thymus (CT)-DNA interaction of - were investigated using conventional techniques. High-resolution molecular structures of the adduct formed between and hen egg white lysozyme (HEWL) were determined by SCXRD. The structural analysis reveals that the compound self-assembles within protein crystals, forming a dimeric structure that non-covalently interacts with the protein surface. The binding of to HEWL was also evaluated through different spectroscopic methods. Fluorescence data indicate that can also bind the physiologically relevant protein human serum albumin at pH 7.4. Furthermore, the cytotoxicity of - was evaluated against the lung (A549) and human breast adenocarcinoma (MCF-7) cancer cell lines, as well as an human embryonic kidney cell line (HEK-293) noncancerous cell line. (IC value of 9.2 ± 0.1 μM) is more effective than the other two complexes. It induces cell death via apoptosis.

PubMed: 41830615
DOI: 10.1021/acs.inorgchem.5c05201

実験手法

X-RAY DIFFRACTION (1.37 Å)