4HT2

Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor.

4HT2 の概要

• エントリーDOI: 10.2210/pdb4ht2/pdb
• 分子名称: Carbonic anhydrase 12, ZINC ION, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, ... (6 entities in total)
• 機能のキーワード: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, catalytic activity, carbon-oxygen lyase activity, carbonate dehydratase activity, membrane, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: O43570
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 122463.45

構造登録者

Smirnov, A.,Manakova, E.,Grazulis, S. (登録日: 2012-10-31, 公開日: 2013-04-10, 最終更新日: 2023-09-20)

• 主引用文献: Dudutiene, V.,Zubriene, A.,Smirnov, A.,Gylyte, J.,Timm, D.,Manakova, E.,Grazulis, S.,Matulis, D.; 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.; Bioorg.Med.Chem., 21:2093-2106, 2013; PubMed: 23394791; DOI: 10.1016/j.bmc.2013.01.008

実験手法

X-RAY DIFFRACTION (1.45 Å)