6QX1

2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA.

Summary for 6QX1

DescriptorDNA gyrase subunit B, DNA gyrase subunit A, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... (9 entities in total)
Functional Keywordsinhibitor, dna complex, isomerase
Biological sourceStaphylococcus aureus
More
Total number of polymer chains6
Total molecular weight169966.45
Authors
Bax, B.D. (deposition date: 2019-03-06, release date: 2019-04-17, Last modification date: 2019-05-08)
Primary citation
Thalji, R.K.,Raha, K.,Andreotti, D.,Checchia, A.,Cui, H.,Meneghelli, G.,Profeta, R.,Tonelli, F.,Tommasi, S.,Bakshi, T.,Donovan, B.T.,Howells, A.,Jain, S.,Nixon, C.,Quinque, G.,McCloskey, L.,Bax, B.D.,Neu, M.,Chan, P.F.,Stavenger, R.A.
Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29:1407-1412, 2019
PubMed: 30962087 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2019.03.029
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.65 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20811 0.1% 3.4% 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6qx1
no rotation
Molmil generated image of 6qx1
rotated about x axis by 90°
Molmil generated image of 6qx1
rotated about y axis by 90°