5JCU

Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate

5JCU の概要

• エントリーDOI: 10.2210/pdb5jcu/pdb
• 関連するPDBエントリー: 5JCW
• 分子名称: Glutathione S-transferase A1, L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: gst, peitc, glutathione adduct, cyctein adduct, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: P08263
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 105063.32

構造登録者

Kumari, V.,Ji, X. (登録日: 2016-04-15, 公開日: 2016-10-12, 最終更新日: 2023-09-27)

主引用文献

Kumari, V.,Dyba, M.A.,Holland, R.J.,Liang, Y.H.,Singh, S.V.,Ji, X.
Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11:e0163821-e0163821, 2016

PubMed Abstract: Dietary isothiocyanates abundant as glucosinolate precursors in many edible cruciferous vegetables are effective for prevention of cancer in chemically-induced and transgenic rodent models. Some of these agents, including phenethyl isothiocyanate (PEITC), have already advanced to clinical investigations. The primary route of isothiocyanate metabolism is its conjugation with glutathione (GSH), a reaction catalyzed by glutathione S-transferase (GST). The pi class GST of subunit type 1 (hGSTP1) is much more effective than the alpha class GST of subunit type 1 (hGSTA1) in catalyzing the conjugation. Here, we report the crystal structures of hGSTP1 and hGSTA1 each in complex with the GSH adduct of PEITC. We find that PEITC also covalently modifies the cysteine side chains of GST, which irreversibly inhibits enzymatic activity.

PubMed: 27684484
DOI: 10.1371/journal.pone.0163821

実験手法

X-RAY DIFFRACTION (1.93 Å)