7P2W

E.coli GyrB24 with inhibitor LMD92 (EBL2682)

Summary for 7P2W

• Entry DOI: 10.2210/pdb7p2w/pdb
• Descriptor: DNA gyrase subunit B, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (5 entities in total)
• Functional Keywords: gyrase, inhibitor, e.coli, complex, dna binding protein
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 1
• Total formula weight: 24857.97

Authors

Stevenson, C.E.M.,Lawson, D.M.,Maxwell, A.M.,Henderson, S.R.,Kikelj, D.,Durcik, M.,Zega, A.,Zidar, N.,Ilas, J.,Tomasic, T.,Masic, L.P. (deposition date: 2021-07-06, release date: 2022-07-20, Last modification date: 2024-01-31)

• Primary citation: Cotman, A.E.,Durcik, M.,Benedetto Tiz, D.,Fulgheri, F.,Secci, D.,Sterle, M.,Mozina, S.,Skok, Z.,Zidar, N.,Zega, A.,Ilas, J.,Peterlin Masic, L.,Tomasic, T.,Hughes, D.,Huseby, D.L.,Cao, S.,Garoff, L.,Berruga Fernandez, T.,Giachou, P.,Crone, L.,Simoff, I.,Svensson, R.,Birnir, B.,Korol, S.V.,Jin, Z.,Vicente, F.,Ramos, M.C.,de la Cruz, M.,Glinghammar, B.,Lenhammar, L.,Henderson, S.R.,Mundy, J.E.A.,Maxwell, A.,Stevenson, C.E.M.,Lawson, D.M.,Janssen, G.V.,Sterk, G.J.,Kikelj, D.; Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.; J.Med.Chem., 66:1380-1425, 2023; PubMed: 36634346; DOI: 10.1021/acs.jmedchem.2c01597

Experimental method

X-RAY DIFFRACTION (1.65 Å)