7CBG

Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor

Summary for 7CBG

• Entry DOI: 10.2210/pdb7cbg/pdb
• Descriptor: Threonine--tRNA ligase, (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, ZINC ION, ... (4 entities in total)
• Functional Keywords: ligase-inhibitor complex, ligase/inhibitor
• Biological source: Salmonella enterica subsp. enterica serovar Cubana str. 76814
• Total number of polymer chains: 2
• Total formula weight: 96858.39

Authors

Guo, J.,Chen, B.,Zhou, H. (deposition date: 2020-06-12, release date: 2020-10-07, Last modification date: 2023-11-29)

• Primary citation: Guo, J.,Chen, B.,Yu, Y.,Cheng, B.,Ju, Y.,Tang, J.,Cai, Z.,Gu, Q.,Xu, J.,Zhou, H.; Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.; Eur.J.Med.Chem., 207:112848-112848, 2020; PubMed: 32980741; DOI: 10.1016/j.ejmech.2020.112848

Experimental method

X-RAY DIFFRACTION (2.5 Å)