› 5nfh

X-ray diffraction
2.8Å resolution

Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor

Released:
DOI: 10.2210/pdb5nfh/pdb
PDB entry 5nfh coloured by chain, front view.
PDB entry 5nfh coloured by chain, side view.
PDB entry 5nfh coloured by chain, top view.
Source organism: Trypanosoma brucei brucei TREU927
Primary publication:
Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani.
Torrie LS, Brand S, Robinson DA, Ko EJ, Stojanovski L, Simeons FRC, Wyllie S, Thomas J, Ellis L, Osuna-Cabello M, Epemolu O, Nühs A, Riley J, MacLean L, Manthri S, Read KD, Gilbert IH, Fairlamb AH, De Rycker M
ACS Infect Dis 3 718-727 (2017)
PMID: 28967262

Function and Biology Details

Reaction catalysed: 
ATP + L-methionine + tRNA(Met) = AMP + diphosphate + L-methionyl-tRNA(Met)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174405 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
methionine--tRNA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 536 amino acids
Theoretical weight: 60.67 KDa
Source organism: Trypanosoma brucei brucei TREU927
Expression system: Escherichia coli
UniProt:
  • Canonical: Q38C91 (Residues: 237-767; Coverage: 69%)
Gene name: Tb10.70.6470
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand GOL 5 x GOL
Ligand DMS 3 x DMS
Ligand MET 1 x MET
Ligand 8W2 1 x 8W2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 87.09Å b: 105.985Å c: 207.071Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.23
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Current Screening Methodologies in Drug Discovery for Selected Human Diseases.
Lage et al. (2018)
3 more

2 mentions without citation

Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani.
Torrie et al. (2017)
1 more