6S7Z

Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide

6S7Z の概要

• エントリーDOI: 10.2210/pdb6s7z/pdb
• 関連するPDBエントリー: 6S43 6S7K 6S7S 6S7U 6S7W 6S88
• 分子名称: Fumarate hydratase class II, ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: fumarate hydratase, fumarase, lyase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 201846.67

構造登録者

Whitehouse, A.J.,Libardo, M.D.,Kasbekar, M.,Brear, P.,Fischer, G.,Thomas, C.J.,Barry, C.E.,Boshoff, H.I.,Coyne, A.G.,Abell, C. (登録日: 2019-07-07, 公開日: 2019-09-25, 最終更新日: 2024-01-24)

• 主引用文献: Whitehouse, A.J.,Libardo, M.D.J.,Kasbekar, M.,Brear, P.D.,Fischer, G.,Thomas, C.J.,Barry 3rd, C.E.,Boshoff, H.I.M.,Coyne, A.G.,Abell, C.; Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.; J.Med.Chem., 62:10586-10604, 2019; PubMed: 31517489; DOI: 10.1021/acs.jmedchem.9b01203

実験手法

X-RAY DIFFRACTION (1.85 Å)