7P4U

Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE

Summary for 7P4U

• Entry DOI: 10.2210/pdb7p4u/pdb
• Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (3 entities in total)
• Functional Keywords: quorum sensing, lysr-type transcriptional regulator, pseudomonas, 2 quinolone signaling system, lttr, dna binding protein, gene regulation
• Biological source: Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
• Total number of polymer chains: 1
• Total formula weight: 26122.90

Authors

Schmelz, S.,Blankenfeldt, W. (deposition date: 2021-07-13, release date: 2022-07-27, Last modification date: 2024-01-31)

• Primary citation: Hamed, M.M.,Abdelsamie, A.S.,Rox, K.,Schutz, C.,Kany, A.M.,Rohrig, T.,Schmelz, S.,Blankenfeldt, W.,Arce-Rodriguez, A.,Borrero-de Acuna, J.M.,Jahn, D.,Rademacher, J.,Ringshausen, F.C.,Cramer, N.,Tummler, B.,Hirsch, A.K.H.,Hartmann, R.W.,Empting, M.; Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.; Adv Sci, 10:e2204443-e2204443, 2023; PubMed: 36596691; DOI: 10.1002/advs.202204443

Experimental method

X-RAY DIFFRACTION (2.74 Å)