7NQN

Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14

7NQN の概要

• エントリーDOI: 10.2210/pdb7nqn/pdb
• 分子名称: Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, ... (7 entities in total)
• 機能のキーワード: mycobacterium tuberculosis, heme-binding, inhibitor, complex, metal binding protein
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 45698.49

構造登録者

Selvam, I.R. (登録日: 2021-03-01, 公開日: 2022-02-02, 最終更新日: 2024-01-31)

• 主引用文献: Frederickson, M.,Selvam, I.R.,Evangelopoulos, D.,McLean, K.J.,Katariya, M.M.,Tunnicliffe, R.B.,Campbell, B.,Kavanagh, M.E.,Charoensutthivarakul, S.,Blankley, R.T.,Levy, C.W.,de Carvalho, L.P.S.,Leys, D.,Munro, A.W.,Coyne, A.G.,Abell, C.; A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).; Eur.J.Med.Chem., 230:114105-114105, 2022; PubMed: 35065413; DOI: 10.1016/j.ejmech.2022.114105

実験手法

X-RAY DIFFRACTION (1.6 Å)