5VRN

CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.

5VRN の概要

• エントリーDOI: 10.2210/pdb5vrn/pdb
• 関連するPDBエントリー: 5VRL 5VRM
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate (3 entities in total)
• 機能のキーワード: inha, enoyl-acyl reductase, tuberculosis, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 178767.31

構造登録者

Abendroth, J.,Edwards, T.E.,Lorimer, D. (登録日: 2017-05-11, 公開日: 2018-05-16, 最終更新日: 2024-03-13)

• 主引用文献: Xia, Y.,Zhou, Y.,Carter, D.S.,McNeil, M.B.,Choi, W.,Halladay, J.,Berry, P.W.,Mao, W.,Hernandez, V.,O'Malley, T.,Korkegian, A.,Sunde, B.,Flint, L.,Woolhiser, L.K.,Scherman, M.S.,Gruppo, V.,Hastings, C.,Robertson, G.T.,Ioerger, T.R.,Sacchettini, J.,Tonge, P.J.,Lenaerts, A.J.,Parish, T.,Alley, M.; Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.; Life Sci Alliance, 1:e201800025-e201800025, 2018; PubMed: 30456352; DOI: 10.26508/lsa.201800025

実験手法

X-RAY DIFFRACTION (2.55 Å)