5D7C

Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand

Summary for 5D7C

• Entry DOI: 10.2210/pdb5d7c/pdb
• Related: 5CPH 5CTU 5CTW 5CTX 5CTY 5D6P 5D6Q 5D7D 5D7R
• Descriptor: DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, ... (5 entities in total)
• Functional Keywords: dna gyrase, gyrb, ligand, structure-based design, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Staphylococcus aureus
• Cellular location: Cytoplasm : P0A0K8
• Total number of polymer chains: 2
• Total formula weight: 49247.13

Authors

Zhang, J.,Yang, Q.,Cross, J.B.,Romero, J.A.C.,Ryan, M.D.,Lippa, B.,Dolle, R.E.,Andersen, O.A.,Barker, J.,Cheng, R.K.,Kahmann, J.,Felicetti, B.,Wood, M.,Scheich, C. (deposition date: 2015-08-13, release date: 2015-11-25, Last modification date: 2023-09-27)

• Primary citation: Zhang, J.,Yang, Q.,Cross, J.B.,Romero, J.A.,Poutsiaka, K.M.,Epie, F.,Bevan, D.,Wang, B.,Zhang, Y.,Chavan, A.,Zhang, X.,Moy, T.,Daniel, A.,Nguyen, K.,Chamberlain, B.,Carter, N.,Shotwell, J.,Silverman, J.,Metcalf, C.A.,Ryan, D.,Lippa, B.,Dolle, R.E.; Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.; J.Med.Chem., 58:8503-8512, 2015; PubMed: 26460684; DOI: 10.1021/acs.jmedchem.5b00961

Experimental method

X-RAY DIFFRACTION (1.55 Å)