3MZC

Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor

3MZC の概要

• エントリーDOI: 10.2210/pdb3mzc/pdb
• 関連するPDBエントリー: 3N0N 3N2P 3N3J 3N4B
• 分子名称: Carbonic anhydrase 2, ZINC ION, 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, ... (5 entities in total)
• 機能のキーワード: lyase, benzenesulfonamide inhibitor, zinc metalloenzyme, zinc coordination, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens
• 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: 29729.91

構造登録者

Avvaru, B.S.,Wagner, J.,Robbins, A.H.,Mckenna, R. (登録日: 2010-05-12, 公開日: 2011-03-09, 最終更新日: 2023-09-06)

主引用文献

Pacchiano, F.,Aggarwal, M.,Avvaru, B.S.,Robbins, A.H.,Scozzafava, A.,McKenna, R.,Supuran, C.T.
Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Chem.Commun.(Camb.), 46:8371-8373, 2010

PubMed Abstract: 4-Substituted-ureido benzenesulfonamides showing inhibitory activity against carbonic anhydrase (CA, EC 4.2.1.1) II between 3.3-226 nM were crystallized in complex with the enzyme. Hydrophobic interactions between the scaffold of the inhibitors in different hydrophobic pockets of the enzyme were observed, explaining the diverse inhibitory range of these derivatives.

PubMed: 20922253
DOI: 10.1039/c0cc02707c

実験手法

X-RAY DIFFRACTION (1.498 Å)