2Y76

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate

2Y76 の概要

• エントリーDOI: 10.2210/pdb2y76/pdb
• 関連するPDBエントリー: 1H05 1H0R 1H0S 2DHQ 2XB8 2Y71 2Y77
• 分子名称: 3-DEHYDROQUINATE DEHYDRATASE, (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: lyase, amino acid biosynthesis
• 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: 16447.49

構造登録者

Otero, J.M.,Llamas-Saiz, A.L.,Fox, G.C.,Tizon, L.,Prazeres, V.F.V.,Lamb, H.,Hawkins, A.R.,Ainsa, J.A.,Castedo, L.,Gonzalez-Bello, C.,van Raaij, M.J. (登録日: 2011-01-28, 公開日: 2011-08-17, 最終更新日: 2023-12-20)

• 主引用文献: Tizon, L.,Otero, J.M.,Prazeres, V.F.,Llamas-Saiz, A.L.,Fox, G.C.,van Raaij, M.J.,Lamb, H.,Hawkins, A.R.,Ainsa, J.A.,Castedo, L.,Gonzalez-Bello, C.; A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.; J. Med. Chem., 54:6063-6084, 2011; PubMed: 21780742; DOI: 10.1021/jm2006063

実験手法

X-RAY DIFFRACTION (2.5 Å)