7QKE

Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)

7QKE の概要

• エントリーDOI: 10.2210/pdb7qke/pdb
• 分子名称: Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate, PROTOPORPHYRIN IX CONTAINING FE, ... (4 entities in total)
• 機能のキーワード: p450, cyp, tuberculosis, cholesterol, inhibitor, complex, surface, entropy, reduction, cytochrome, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis H37Rv
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 47468.03

構造登録者

Snee, M.,Tunnicliffe, R.,Leys, D.,Levy, C.,Katariya, M. (登録日: 2021-12-17, 公開日: 2022-12-28, 最終更新日: 2024-02-07)

• 主引用文献: Katariya, M.M.,Snee, M.,Tunnicliffe, R.B.,Kavanagh, M.E.,Boshoff, H.I.M.,Amadi, C.N.,Levy, C.W.,Munro, A.W.,Abell, C.,Leys, D.,Coyne, A.G.,McLean, K.J.; Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.; Chemistry, 29:e202203868-e202203868, 2023; PubMed: 36912255; DOI: 10.1002/chem.202203868

実験手法

X-RAY DIFFRACTION (2.3 Å)