6SWM

selenol bound carbonic anhydrase I

6SWM の概要

• エントリーDOI: 10.2210/pdb6swm/pdb
• 分子名称: Carbonic anhydrase 1, ZINC ION, (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, ... (4 entities in total)
• 機能のキーワード: carbonic anhydrase, inhibitor, selenol, lyase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 58333.43

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2019-09-22, 公開日: 2020-10-07, 最終更新日: 2025-10-01)

主引用文献

Angeli, A.,Tanini, D.,Nocentini, A.,Capperucci, A.,Ferraroni, M.,Gratteri, P.,Supuran, C.T.
Selenols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 55:648-651, 2019

PubMed Abstract: Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs.

PubMed: 30560259
DOI: 10.1039/c8cc08562e

実験手法

X-RAY DIFFRACTION (2.77 Å)