6MBY

Carbonic Anhydrase II in complex with Ferulic Acid

6MBY の概要

• エントリーDOI: 10.2210/pdb6mby/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... (6 entities in total)
• 機能のキーワード: carbonic anhydrase ii, carboxylic acid, ferulic 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: 29362.46

構造登録者

Lomelino, C.L.,McKenna, R. (登録日: 2018-08-30, 公開日: 2019-03-13, 最終更新日: 2023-10-11)

主引用文献

Lomelino, C.L.,McKenna, R.
Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75:166-170, 2019

PubMed Abstract: Carbonic anhydrases (CAs) are molecular targets in various diseases. While many sulfonamide-based drugs are in clinical use, CA inhibitor design is moving towards the incorporation of alternative zinc-binding groups, such as carboxylic acids, to promote CA isoform-specific inhibition. Here, X-ray crystal structures of CA II in complex with nicotinic acid and ferulic acid determined to 1.70 and 1.50 Å resolution, respectively, are reported. Furthermore, the structures of these two compounds are superimposed with previously determined structures to compare the mechanisms of inhibition and the properties of carboxylic acid-based CA inhibitors. This study examines an important class of alternative, non-sulfonamide-based CA inhibitors and provides insight to facilitate the structure-guided design of CA isoform-specific inhibitors.

PubMed: 30839290
DOI: 10.1107/S2053230X18018344

実験手法

X-RAY DIFFRACTION (1.496 Å)