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 Cited by PubMed: 38170170DOI: 10.1021/acs.jmedchem.3c00973 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
Download full validation report