Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors

Protein Sci. 2001 Oct;10(10):2008-16. doi: 10.1110/ps.18001.

Abstract

SB-219383 and its analogues are a class of potent and specific inhibitors of bacterial tyrosyl-tRNA synthetases. Crystal structures of these inhibitors have been solved in complex with the tyrosyl-tRNA synthetase from Staphylococcus aureus, the bacterium that is largely responsible for hospital-acquired infections. The full-length enzyme yielded crystals that diffracted to 2.8 A resolution, but a truncated version of the enzyme allowed the resolution to be extended to 2.2 A. These inhibitors not only occupy the known substrate binding sites in unique ways, but also reveal a butyl binding pocket. It was reported that the Bacillus stearothermophilus TyrRS T51P mutant has much increased catalytic activity. The S. aureus enzyme happens to have a proline at position 51. Therefore, our structures may contribute to the understanding of the catalytic mechanism and provide the structural basis for designing novel antimicrobial agents.

MeSH terms

  • Amino Acid Sequence
  • Bridged Bicyclo Compounds, Heterocyclic / chemistry
  • Bridged Bicyclo Compounds, Heterocyclic / pharmacology
  • Crystallization
  • Crystallography, X-Ray
  • Dipeptides / chemistry
  • Dipeptides / pharmacology
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology
  • Furans / chemistry
  • Furans / pharmacology
  • Models, Molecular
  • Molecular Sequence Data
  • Piperidines / chemistry
  • Piperidines / pharmacology
  • Protein Conformation
  • Sequence Homology, Amino Acid
  • Staphylococcus aureus / enzymology*
  • Tyrosine-tRNA Ligase / antagonists & inhibitors
  • Tyrosine-tRNA Ligase / chemistry*

Substances

  • Bridged Bicyclo Compounds, Heterocyclic
  • Dipeptides
  • Enzyme Inhibitors
  • Furans
  • Piperidines
  • SB 219383
  • SB 239629
  • SB 243545
  • Tyrosine-tRNA Ligase

Associated data

  • PDB/1JII
  • PDB/1JIJ
  • PDB/1JIK
  • PDB/1JIL