4P8O

S. aureus gyrase bound to an aminobenzimidazole urea inhibitor

Summary for 4P8O

Entry DOI	10.2210/pdb4p8o/pdb
Descriptor	DNA gyrase subunit B, 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea (3 entities in total)
Functional Keywords	antibacterial, gram-positive, gyrase, topoisomerase, staphylococcus aureus, isomerase
Biological source	Staphylococcus aureus
Cellular location	Cytoplasm : Q6GKU0
Total number of polymer chains	2
Total formula weight	43644.65
Authors	Jacobs, M.D. (deposition date: 2014-03-31, release date: 2014-10-29, Last modification date: 2023-12-27)
Primary citation	Grillot, A.L.,Tiran, A.L.,Shannon, D.,Krueger, E.,Liao, Y.,O'Dowd, H.,Tang, Q.,Ronkin, S.,Wang, T.,Waal, N.,Li, P.,Lauffer, D.,Sizensky, E.,Tanoury, J.,Perola, E.,Grossman, T.H.,Doyle, T.,Hanzelka, B.,Jones, S.,Dixit, V.,Ewing, N.,Liao, S.,Boucher, B.,Jacobs, M.,Bennani, Y.,Charifson, P.S. Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. J.Med.Chem., 57:8792-8816, 2014 Cited by PubMed: 25317480 DOI: 10.1021/jm500563g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation