6YRI

THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID

6YRI の概要

• エントリーDOI: 10.2210/pdb6yri/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, CAFFEIC ACID, ... (5 entities in total)
• 機能のキーワード: carbonic anhydrase ii, complex, caffeic acid, lyase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29907.06

構造登録者

D'Ambrosio, K.,De Simone, G. (登録日: 2020-04-20, 公開日: 2021-03-31, 最終更新日: 2024-01-24)

主引用文献

D'Ambrosio, K.,Carradori, S.,Cesa, S.,Angeli, A.,Monti, S.M.,Supuran, C.T.,De Simone, G.
Catechols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 56:13033-13036, 2020

PubMed Abstract: To date, catechols have been only poorly investigated as carbonic anhydrase (CA) inhibitors. Here we report the first structural information on the CA inhibition mechanism of these molecules, showing that they adopt a peculiar binding mode to the enzyme active site which involves the zinc-bound water molecule and the "deep water".

PubMed: 33000794
DOI: 10.1039/d0cc05172a

実験手法

X-RAY DIFFRACTION (1.6 Å)