7PQM

Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888

Summary for 7PQM

• Entry DOI: 10.2210/pdb7pqm/pdb
• Descriptor: DNA gyrase subunit B, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: dna gyrase, gyrb, inhibitor, antibacterial, isomerase, dna binding protein
• Biological source: Acinetobacter baumannii 1419130
• Total number of polymer chains: 2
• Total formula weight: 46561.34

Authors

Cotman, A.E.,Zega, A.,Zidar, N.,Ilas, J.,Tomasic, T.,Masic, L.P.,Mundy, J.E.A.,Stevenson, C.E.M.,Burton, N.,Lawson, D.M.,Maxwell, A.,Kikelj, D. (deposition date: 2021-09-17, release date: 2022-09-28, Last modification date: 2024-02-07)

• 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 (1.55 Å)