4K47

Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct

Summary for 4K47

• Entry DOI: 10.2210/pdb4k47/pdb
• Related: 4K48
• Descriptor: Leucine--tRNA ligase, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate, SULFATE ION, ... (4 entities in total)
• Functional Keywords: leucyl-trna synthetase, benzoxaboroles, antibacterial, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• Biological source: Streptococcus pneumoniae
• Cellular location: Cytoplasm (By similarity): B8ZKS5
• Total number of polymer chains: 1
• Total formula weight: 22043.98

Authors

Hu, Q.H.,Liu, R.J.,Fang, Z.P.,Zhang, J.,Ding, Y.Y.,Tan, M.,Wang, M.,Pan, W.,Zhou, H.C.,Wang, E.D. (deposition date: 2013-04-12, release date: 2013-09-04, Last modification date: 2024-03-20)

• Primary citation: Hu, Q.H.,Liu, R.J.,Fang, Z.P.,Zhang, J.,Ding, Y.Y.,Tan, M.,Wang, M.,Pan, W.,Zhou, H.C.,Wang, E.D.; Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase; Sci Rep, 3:2475-2475, 2013; PubMed: 23959225; DOI: 10.1038/srep02475

Experimental method

X-RAY DIFFRACTION (2.02 Å)