3U2K

S. aureus GyrB ATPase domain in complex with a small molecule inhibitor

Summary for 3U2K

• Entry DOI: 10.2210/pdb3u2k/pdb
• Related: 3TTZ 3U2D
• Descriptor: DNA gyrase subunit B, 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: protein-inhibitor complex, atp-binding, structure-based drug design, antimicrobial, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Staphylococcus aureus; More
• Cellular location: Cytoplasm : P0A0K8
• Total number of polymer chains: 2
• Total formula weight: 46097.70

Authors

Boriack-Sjodin, P.A.,Prince, D.B.,Eakin, A.E.,Sherer, B.A. (deposition date: 2011-10-03, release date: 2012-01-11, Last modification date: 2024-02-28)

• Primary citation: Eakin, A.E.,Green, O.,Hales, N.,Walkup, G.K.,Bist, S.,Singh, A.,Mullen, G.,Bryant, J.,Embrey, K.,Gao, N.,Breeze, A.,Timms, D.,Andrews, B.,Uria-Nickelsen, M.,Demeritt, J.,Loch, J.T.,Hull, K.,Blodgett, A.,Illingworth, R.N.,Prince, B.,Boriack-Sjodin, P.A.,Hauck, S.,Macpherson, L.J.,Ni, H.,Sherer, B.; Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.; Antimicrob.Agents Chemother., 56:1240-1246, 2012; PubMed: 22183167; DOI: 10.1128/AAC.05485-11

Experimental method

X-RAY DIFFRACTION (1.64 Å)