2Q1Q

Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies

2Q1Q の概要

• エントリーDOI: 10.2210/pdb2q1q/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, MERCURY (II) ION, ... (5 entities in total)
• 機能のキーワード: antiepileptic, carbonic anhydrase, inhibitors, lyase
• 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: 29845.42

構造登録者

Temperini, C.,Innocenti, A.,Mastrolorenzo, A.,Scozzafava, A.,Supuran, C.T. (登録日: 2007-05-25, 公開日: 2007-09-11, 最終更新日: 2024-02-21)

主引用文献

Temperini, C.,Innocenti, A.,Mastrolorenzo, A.,Scozzafava, A.,Supuran, C.T.
Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 17:4866-4872, 2007

PubMed Abstract: Sulthiame, a clinically used antiepileptic, was investigated for its interaction with 12 catalytically active mammalian carbonic anhydrase (CA, EC 4.2.1.1) isoforms. The drug is a potent inhibitor of CA II, VII, IX, and XII (K(I)s of 6-56 nM), and a medium potency inhibitor against CA IV, VA, VB, and VI (K(I)s of 81-134 nM). The high resolution crystal structure of the hCA II-sulthiame adduct revealed a large number of favorable interactions between the drug and the enzyme which explain its strong low nanomolar affinity for this isoform and may also be exploited for the design of effective inhibitors incorporating sultam moieties.

PubMed: 17588751
DOI: 10.1016/j.bmcl.2007.06.044

実験手法

X-RAY DIFFRACTION (1.9 Å)