4CIY

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid

4CIY の概要

• エントリーDOI: 10.2210/pdb4ciy/pdb
• 関連するPDBエントリー: 4CIV 4CIW 4CIX
• 分子名称: 3-DEHYDROQUINATE DEHYDRATASE, (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: lyase, inhibitor, protein binding, shikimis acid p substrate specificity
• 由来する生物種: MYCOBACTERIUM TUBERCULOSIS
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 16171.52

構造登録者

Otero, J.M.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,Blanco, B.,Sedes, A.,Peon, A.,Gonzalez-Bello, C.,van Raaij, M.J. (登録日: 2013-12-17, 公開日: 2014-04-16, 最終更新日: 2023-12-20)

• 主引用文献: Blanco, B.,Sedes, A.,Peon, A.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C.; Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.; J. Med. Chem., 57:3494-3510, 2014; PubMed: 24689821; DOI: 10.1021/jm500175z

実験手法

X-RAY DIFFRACTION (2.1 Å)