4EMV

Crystal structure of a topoisomerase ATP inhibitor

Summary for 4EMV

Entry DOI	10.2210/pdb4emv/pdb
Related	4EM7
Descriptor	DNA topoisomerase IV, B subunit, 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid (3 entities in total)
Functional Keywords	protein-inhibitor complex, atp binding, structure-based drug design, antimicrobial, virtual screen, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
Biological source	Streptococcus pneumoniae GA47373
Total number of polymer chains	1
Total formula weight	25045.09
Authors	Boriack-Sjodin, P.A.,Manchester, J.,Hull, K. (deposition date: 2012-04-12, release date: 2012-08-01, Last modification date: 2024-02-28)
Primary citation	Manchester, J.I.,Dussault, D.D.,Rose, J.A.,Boriack-Sjodin, P.A.,Uria-Nickelsen, M.,Ioannidis, G.,Bist, S.,Fleming, P.,Hull, K.G. Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV. Bioorg.Med.Chem.Lett., 22:5150-5156, 2012 Cited by PubMed: 22814212 DOI: 10.1016/j.bmcl.2012.05.128 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation