3P58

Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid

3P58 の概要

• エントリーDOI: 10.2210/pdb3p58/pdb
• 関連するPDBエントリー: 3P5A 3P5L
• 分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid, ... (4 entities in total)
• 機能のキーワード: carbothioates, hcaii inhibitors, lyase-inhibitor complex, 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: 29551.79

構造登録者

Aggarwal, M.,McKenna, R. (登録日: 2010-10-08, 公開日: 2011-10-19, 最終更新日: 2024-02-21)

主引用文献

Carta, F.,Aggarwal, M.,Maresca, A.,Scozzafava, A.,McKenna, R.,Supuran, C.T.
Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48:1868-1870, 2012

PubMed Abstract: The zinc enzyme carbonic anhydrase (CA, EC 4.2.1.1) is inhibited by several classes of zinc-binders (sulfonamides, sulfamates, and sulfamides) as well as by compounds which do not interact with the metal ion (phenols, polyamines and coumarins). Here we report a new class of potent CA inhibitors which bind the zinc ion: the dithiocarbamates (DTCs). They coordinate to the zinc ion from the enzyme active site in monodentate manner and establish many favorable interactions with amino acid residues nearby. Several low nanomolar CA I, II and IX inhibitors were detected.

PubMed: 22218610
DOI: 10.1039/c2cc16395k

実験手法

X-RAY DIFFRACTION (1.49 Å)