7QA0

Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 1456

Summary for 7QA0

• Entry DOI: 10.2210/pdb7qa0/pdb
• Descriptor: Multiple virulence factor regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-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: 2
• Total formula weight: 75370.70

Authors

Schmelz, S.,Blankenfeldt, W. (deposition date: 2021-11-15, release date: 2022-11-23, Last modification date: 2024-06-12)

• Primary citation: Abdelsamie, A.S.,Hamed, M.M.,Schutz, C.,Rohrig, T.,Kany, A.M.,Schmelz, S.,Blankenfeldt, W.,Hirsch, A.K.H.,Hartmann, R.W.,Empting, M.; Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity; Ssrn, 2024; DOI: 10.2139/ssrn.4789988

Experimental method

X-RAY DIFFRACTION (2.67 Å)