7WPI

Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor

Summary for 7WPI

• Entry DOI: 10.2210/pdb7wpi/pdb
• Descriptor: Methionine--tRNA ligase, 2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide, ACETATE ION, ... (5 entities in total)
• Functional Keywords: inhibitor, ligase, ligase-inhibitor complex, ligase/inhibitor
• Biological source: Staphylococcus aureus
• Total number of polymer chains: 1
• Total formula weight: 62002.78

Authors

Yi, J.,Cai, Z.,Qiu, H.,Lu, F.,Chen, B.,Luo, Z.,Gu, Q.,Xu, J.,Zhou, H. (deposition date: 2022-01-24, release date: 2022-04-27, Last modification date: 2023-11-29)

• Primary citation: Yi, J.,Cai, Z.,Qiu, H.,Lu, F.,Luo, Z.,Chen, B.,Gu, Q.,Xu, J.,Zhou, H.; Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.; Nucleic Acids Res., 50:4755-4768, 2022; PubMed: 35474479; DOI: 10.1093/nar/gkac285

Experimental method

X-RAY DIFFRACTION (1.92 Å)