6WAA

K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)

Summary for 6WAA

• Entry DOI: 10.2210/pdb6waa/pdb
• Descriptor: DNA topoisomerase 4 subunit B,DNA topoisomerase (ATP-hydrolyzing) chimera, DNA (5'-D(*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... (8 entities in total)
• Functional Keywords: dna-topoisomerase, isomerase-dna-isomerase inhibitor complex, isomerase/dna/isomerase inhibitor
• Biological source: Klebsiella pneumoniae 342; More
• Total number of polymer chains: 12
• Total formula weight: 371367.74

Authors

Noeske, J.,Shu, W.,Bellamacina, C. (deposition date: 2020-03-24, release date: 2020-07-15, Last modification date: 2023-11-15)

• Primary citation: Skepper, C.K.,Armstrong, D.,Balibar, C.J.,Bauer, D.,Bellamacina, C.,Benton, B.M.,Bussiere, D.,De Pascale, G.,De Vicente, J.,Dean, C.R.,Dhumale, B.,Fisher, L.M.,Fuller, J.,Fulsunder, M.,Holder, L.M.,Hu, C.,Kantariya, B.,Lapointe, G.,Leeds, J.A.,Li, X.,Lu, P.,Lvov, A.,Ma, S.,Madhavan, S.,Malekar, S.,McKenney, D.,Mergo, W.,Metzger, L.,Moser, H.E.,Mutnick, D.,Noeske, J.,Osborne, C.,Patel, A.,Patel, D.,Patel, T.,Prajapati, K.,Prosen, K.R.,Reck, F.,Richie, D.L.,Rico, A.,Sanderson, M.R.,Satasia, S.,Sawyer, W.S.,Selvarajah, J.,Shah, N.,Shanghavi, K.,Shu, W.,Thompson, K.V.,Traebert, M.,Vala, A.,Vala, L.,Veselkov, D.A.,Vo, J.,Wang, M.,Widya, M.,Williams, S.L.,Xu, Y.,Yue, Q.,Zang, R.,Zhou, B.,Rivkin, A.; Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.; J.Med.Chem., 63:7773-7816, 2020; PubMed: 32634310; DOI: 10.1021/acs.jmedchem.0c00347

Experimental method

X-RAY DIFFRACTION (3.2 Å)