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 Cited by PubMed: 36634346DOI: 10.1021/acs.jmedchem.2c01597 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.55 Å) |
Structure validation
Download full validation report