5AML

Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid

5AML の概要

• エントリーDOI: 10.2210/pdb5aml/pdb
• 関連するPDBエントリー: 5AMD 5AMG
• 分子名称: CARBONIC ANHYDRASE 2, ZINC ION, 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, ... (4 entities in total)
• 機能のキーワード: lyase, ca ii, ca 2
• 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: 29555.63

構造登録者

Leitans, J.,Tars, K.,Zalubovskis, R. (登録日: 2015-03-10, 公開日: 2015-04-08, 最終更新日: 2024-01-10)

主引用文献

Ivanova, J.,Leitans, J.,Tanc, M.,Kazaks, A.,Zalubovskis, R.,Supuran, C.T.,Tars, K.
X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51:7108-, 2015

PubMed Abstract: 1-N-Alkylated-6-sulfamoyl saccharin derivatives were prepared and assayed as carbonic anhydrase inhibitors (CAIs). During X-ray crystallographic experiments an unexpected hydrolysis of the isothiazole ring was evidenced which allowed us to prepare highly potent enzyme inhibitors with selectivity for some isoforms with medical applications.

PubMed: 25813715
DOI: 10.1039/C5CC01854D

実験手法

X-RAY DIFFRACTION (1.36 Å)