4JSA

Benzenesulfonamide complexed with hCAII H94D

4JSA の概要

• エントリーDOI: 10.2210/pdb4jsa/pdb
• 関連するPDBエントリー: 4JS6 4JSS 4JSW 4JSZ
• 分子名称: Carbonic anhydrase 2, ZINC ION, MERCURIBENZOIC ACID, ... (6 entities in total)
• 機能のキーワード: 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: 30063.56

構造登録者

Martin, D.P.,Hann, Z.S.,Cohen, S.M. (登録日: 2013-03-22, 公開日: 2013-06-19, 最終更新日: 2023-09-20)

主引用文献

Martin, D.P.,Hann, Z.S.,Cohen, S.M.
Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52:12207-12215, 2013

PubMed Abstract: An ever-increasing number of metalloproteins are being discovered that play essential roles in physiological processes. Inhibitors of these proteins have significant potential for the treatment of human disease, but clinical success of these compounds has been limited. Herein, zinc(II)-dependent metalloprotein inhibitors in clinical use are reviewed, and the potential for using novel metal-binding groups (MBGs) in the design of these inhibitors is discussed. By using human carbonic anhydrase II as a model system, the nuances of MBG-metal interactions in the context of a protein environment can be probed. Understanding how metal coordination influences inhibitor binding may help in the design of new therapeutics targeting metalloproteins.

PubMed: 23706138
DOI: 10.1021/ic400295f

実験手法

X-RAY DIFFRACTION (1.5 Å)