7WMF

Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor

Summary for 7WMF

• Entry DOI: 10.2210/pdb7wmf/pdb
• Descriptor: Threonine--tRNA ligase, (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, ... (5 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: 97422.86

Authors

Cai, Z.,Chen, B.,Yu, Y.,Zhou, H. (deposition date: 2022-01-14, release date: 2022-04-27, Last modification date: 2023-11-29)

• Primary citation: Cai, Z.,Chen, B.,Yu, Y.,Guo, J.,Luo, Z.,Cheng, B.,Xu, J.,Gu, Q.,Zhou, H.; Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.; J.Med.Chem., 65:5800-5820, 2022; PubMed: 35363470; DOI: 10.1021/acs.jmedchem.2c00134

Experimental method

X-RAY DIFFRACTION (2.1 Å)