7PTG

Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888

Summary for 7PTG

• Entry DOI: 10.2210/pdb7ptg/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 (3 entities in total)
• Functional Keywords: dna gyrase, gyrb, inhibitor, antibacterial, isomerase, dna binding protein
• Biological source: Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
• Total number of polymer chains: 2
• Total formula weight: 50055.60

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: 2021-09-27, release date: 2022-10-05, 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 (2.2 Å)