8Q5K

PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile

Summary for 8Q5K

• Entry DOI: 10.2210/pdb8q5k/pdb
• Descriptor: Multiple virulence factor regulator MvfR, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: transcriptional regulator, transcription
• Biological source: Pseudomonas aeruginosa UCBPP-PA14
• Total number of polymer chains: 1
• Total formula weight: 24765.43

Authors

Markham-Lee, Z.J.,Emsley, J. (deposition date: 2023-08-09, release date: 2024-01-17, Last modification date: 2024-04-17)

• Primary citation: Soukarieh, F.,Mashabi, A.,Richardson, W.,Oton, E.V.,Romero, M.,Dubern, J.F.,Robertson, S.N.,Lucanto, S.,Markham-Lee, Z.,Sou, T.,Kukavica-Ibrulj, I.,Levesque, R.C.,Bergstrom, C.A.S.,Halliday, N.,Kellam, B.,Emsley, J.,Heeb, S.,Williams, P.,Stocks, M.J.,Camara, M.; Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.; J.Med.Chem., 67:1008-1023, 2024; PubMed: 38170170; DOI: 10.1021/acs.jmedchem.3c00973

Experimental method

X-RAY DIFFRACTION (2.8 Å)