6QX1

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

Summary for 6QX1

• Entry DOI: 10.2210/pdb6qx1/pdb
• Descriptor: DNA 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 Keywords: inhibitor, dna complex, isomerase
• Biological source: Staphylococcus aureus; More
• Total number of polymer chains: 6
• Total formula weight: 169966.45

Authors

Bax, B.D. (deposition date: 2019-03-06, release date: 2019-04-17, Last modification date: 2024-01-24)

• 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; DOI: 10.1016/j.bmcl.2019.03.029

Experimental method

X-RAY DIFFRACTION (2.65 Å)