4FL7

The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide

4FL7 の概要

• エントリーDOI: 10.2210/pdb4fl7/pdb
• 関連するPDBエントリー: 1AM6 1CA2 3T5U 3T5Z
• 分子名称: Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: lyase
• 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: 29866.30

構造登録者

Di Fiore, A.,De Simone, G. (登録日: 2012-06-14, 公開日: 2012-08-15, 最終更新日: 2023-09-13)

主引用文献

Di Fiore, A.,Maresca, A.,Supuran, C.T.,De Simone, G.
Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48:8838-8840, 2012

PubMed Abstract: Hydroxamates (R-CONHOH) have been scarcely investigated as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors (CAIs). An inhibition/structural study of PhCONHOH is reported against all human isoforms. Comparing aliphatic (R = Me and CF(3)) and aromatic (R = Ph) hydroxamates as CAIs, we prove that CONHOH is a versatile zinc binding group. Depending on the nature of the R moiety, it can adopt different coordination modes to the catalytic ion within the CA active site.

PubMed: 22836518
DOI: 10.1039/c2cc34275h

実験手法

X-RAY DIFFRACTION (1.85 Å)