6RVK

Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)-

6RVK の概要

• エントリーDOI: 10.2210/pdb6rvk/pdb
• 関連するPDBエントリー: 1CA2
• 分子名称: Carbonic anhydrase 2, ZINC ION, 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea, ... (4 entities in total)
• 機能のキーワード: protein-inhibitor binding, lyase
• 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: 29841.83

構造登録者

Di Fiore, A.,De Simone, G. (登録日: 2019-05-31, 公開日: 2019-08-28, 最終更新日: 2024-01-24)

• 主引用文献: Langella, E.,Alterio, V.,D'Ambrosio, K.,Cadoni, R.,Winum, J.Y.,Supuran, C.T.,Monti, S.M.,De Simone, G.,Di Fiore, A.; Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.; J Enzyme Inhib Med Chem, 34:1498-1505, 2019; PubMed: 31423863; DOI: 10.1080/14756366.2019.1653291

実験手法

X-RAY DIFFRACTION (1.58 Å)