5V49

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)

Summary for 5V49

• Entry DOI: 10.2210/pdb5v49/pdb
• Descriptor: Methionyl-tRNA synthetase, putative, METHIONINE, N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine, ... (5 entities in total)
• Functional Keywords: synthetase, ligase, methionine, inhibitor, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• Biological source: Trypanosoma brucei brucei
• Total number of polymer chains: 2
• Total formula weight: 123328.48

Authors

Barros-Alvarez, X.,Hol, W.G.J. (deposition date: 2017-03-08, release date: 2017-07-26, Last modification date: 2024-03-06)

• Primary citation: Huang, W.,Zhang, Z.,Ranade, R.M.,Gillespie, J.R.,Barros-Alvarez, X.,Creason, S.A.,Shibata, S.,Verlinde, C.L.M.J.,Hol, W.G.J.,Buckner, F.S.,Fan, E.; Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.; Bioorg. Med. Chem. Lett., 27:2702-2707, 2017; PubMed: 28465105; DOI: 10.1016/j.bmcl.2017.04.048

Experimental method

X-RAY DIFFRACTION (2.3 Å)