PqsR (MvfR) in complex with antagonist 19

This is a large structure.

Summary for 6YZ3

Related6Z07 6Z17 6Z5K
DescriptorLysR family transcriptional regulator, 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, ... (4 entities in total)
Functional Keywordspseudomonas aeruginosa, antagonist, quorum sensing, dna binding protein
Biological sourcePseudomonas aeruginosa
Total number of polymer chains1
Total molecular weight27173.15
Richardson, W.K.,Emsley, J. (deposition date: 2020-05-06, release date: 2020-09-16)
Primary citation
Grossman, S.,Soukarieh, F.,Richardson, W.K.,Liu, R.,Mashabi, A.,Emsley, J.,Williams, P.,Camara, M.,Stocks, M.J.
Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR
Eur.J.Med.Chem., 2020
DOI: 10.1016/j.ejmech.2020.112778
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.26760 2.8% 2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-16