6Z17

PqsR (MvfR) in complex with antagonist 6

This is a large structure.

Summary for 6Z17

Related6YZ3
DescriptorTranscriptional regulator MvfR, 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one (2 entities in total)
Functional Keywordspseudomonas aeruginosa, antagonist, quorum sensing, dna binding protein
Biological sourcePseudomonas aeruginosa (strain UCBPP-PA14)
Total number of polymer chains1
Total molecular weight27071.02
Authors
Richardson, W.K.,Emsley, J. (deposition date: 2020-05-12, release date: 2020-09-16, Last modification date: 2020-09-23)
Primary citation
Grossman, S.,Soukarieh, F.,Richardson, W.,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., 208:112778-112778, 2020
PubMed: 32927392 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2020.112778
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.15 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.245120 2.8% 5.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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169436
PDB entries from 2020-09-30