7NBW

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

Summary for 7NBW

Entry DOI	10.2210/pdb7nbw/pdb
Descriptor	Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-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
Biological source	Pseudomonas aeruginosa PAO1
Total number of polymer chains	1
Total formula weight	25994.31
Authors	Schmelz, S.,Blankenfeldt, W. (deposition date: 2021-01-28, release date: 2021-10-06, Last modification date: 2024-01-31)
Primary citation	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 Cited by PubMed: 34520957 DOI: 10.1016/j.ejmech.2021.113797 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.28 Å)

Structure validation