7NBW

Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist

7NBW の概要

• エントリーDOI: 10.2210/pdb7nbw/pdb
• 分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine (3 entities in total)
• 機能のキーワード: quorum sensing, lysr-type transcriptional regulator, pseudomonas, 2 quinolone signaling system, lttr, dna binding protein
• 由来する生物種: Pseudomonas aeruginosa PAO1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 25994.31

構造登録者

Schmelz, S.,Blankenfeldt, W. (登録日: 2021-01-28, 公開日: 2021-10-06, 最終更新日: 2024-01-31)

• 主引用文献: Schutz, C.,Hodzic, A.,Hamed, M.,Abdelsamie, A.S.,Kany, A.M.,Bauer, M.,Rohrig, T.,Schmelz, S.,Scrima, A.,Blankenfeldt, W.,Empting, M.; Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.; Eur.J.Med.Chem., 226:113797-113797, 2021; PubMed: 34520957; DOI: 10.1016/j.ejmech.2021.113797

実験手法

X-RAY DIFFRACTION (2.28 Å)