4hwr Summary details

pdbe.org/4hwr/summary_details
spacer Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Summary
Header Ligase/Ligase Inhibitorsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.9 Å, R-factor: 26.74%, Free R-factor: 30.33%, Spacegroup: C 1 2 1
Released 18/09/2013, deposition: 08/11/2012, last revision: 18/09/2013
Authors Hilgers, M.T.search
Primary citation Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.MED.CHEM.search vol:56, pag:1748-1760 (2013) [PubMed 23362938 ]search
Keywords aminoacyl-tRNA synthetasesearch, protein-inhibitor complexsearch, antibacterialsearch, Ligase-Ligase Inhibitor complexsearch
EC 6.1.1.3 ExPASy BRENDA search (B A)
Organism Escherichia coli K-12 83333search(A B)
UniProt P0A8M3search (A B)
Solvent A, B
Related entries 4hwo, 4hwp, 4hws, 4hwt
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B Threonine--tRNA ligase Protein P0A8M3 (SYT_ECOLI)search
411 98%
Heterogens
Chain Id Name Ligands
A, B ZINC ION ZN search
A, B N-{[3-(2H-INDAZOL-5-YL)PHENYL]SULFONYL}-L-THREONINAMIDE 1B2 search
spacer