5QAS

OXA-48 IN COMPLEX WITH COMPOUND 23b

Summary for 5QAS

Group depositionA focused fragment library targeting the antibiotic resistance enzyme - oxacillinase-48: synthesis, structural evaluation and inhibitor design (G_1002027)
DescriptorBeta-lactamase, 3-[4-(2-acetamidoethyl)phenyl]benzoic acid, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordsoxacillinase, inhibitor, complex, oxa, antibiotic resistance, beta-lactamase, fragment, hydrolase
Biological sourceKlebsiella pneumoniae
Total number of polymer chains4
Total molecular weight114165.23
Authors
Lund, B.A.,Leiros, H.K.S. (deposition date: 2017-07-11, release date: 2018-01-10, Last modification date: 2018-03-14)
Primary citation
Akhter, S.,Lund, B.A.,Ismael, A.,Langer, M.,Isaksson, J.,Christopeit, T.,Leiros, H.S.,Bayer, A.
A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145:634-648, 2018
PubMed: 29348071 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2017.12.085
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.227200 0.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-23