4E3H

Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors

4E3H の概要

• エントリーDOI: 10.2210/pdb4e3h/pdb
• 関連するPDBエントリー: 4E3D 4E3F 4E3G 4E49 4E4A
• 分子名称: Carbonic anhydrase 2, ZINC ION, MERCURIBENZOIC ACID, ... (5 entities in total)
• 機能のキーワード: carbonate dehydratase, inhibitor, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P00918
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29786.29

構造登録者

Cohen, S.M.,Martin, D.P. (登録日: 2012-03-09, 公開日: 2012-06-27, 最終更新日: 2023-11-08)

主引用文献

Martin, D.P.,Cohen, S.M.
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48:5259-5261, 2012

PubMed Abstract: A series of hydroxybenzoic acid derivatives have shown inhibitory activity against carbonic anhydrase (CA). X-ray crystallography shows that these molecules inhibit not by binding the active site metal ion but by strong hydrogen bonding to the metal-bound water nucleophile. The binding mode observed for these molecules is distinct when compared to other non-metal-binding CA inhibitors.

PubMed: 22531842
DOI: 10.1039/c2cc32013d

実験手法

X-RAY DIFFRACTION (1.5 Å)