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Structure paper

TitleDiscovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Journal, issue, pagesSci Rep, Vol. 3, Page 2475-2475, Year 2013
Publish dateApr 12, 2013 (structure data deposition date)
AuthorsHu, 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.
External linksSci Rep / PubMed:23959225
MethodsX-ray diffraction
Resolution2.02 - 2.49 Å
Structure data

PDB-4k47:
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-4k48:
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

Chemicals

ChemComp-WMP:
[(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

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • streptococcus pneumoniae (bacteria)
KeywordsLIGASE/LIGASE INHIBITOR / leucyl-tRNA synthetase / benzoxaboroles / antibacterial / LIGASE-LIGASE INHIBITOR complex / LIGASE

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