› 7cbh

X-ray diffraction
1.95Å resolution

Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor

Released:
DOI: 10.2210/pdb7cbh/pdb
Model geometry
Fit model/data
PDB entry 7cbh coloured by chain, front view.
PDB entry 7cbh coloured by chain, side view.
PDB entry 7cbh coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Cubana str. 76814
Primary publication:
Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Guo J, Chen B, Yu Y, Cheng B, Ju Y, Tang J, Cai Z, Gu Q, Xu J, Zhou H
Eur J Med Chem 207 112848 (2020)
PMID: 32980741

Function and Biology Details

Reaction catalysed: 
ATP + L-threonine + tRNA(Thr) = AMP + diphosphate + L-threonyl-tRNA(Thr)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-197679 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Threonine--tRNA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 411 amino acids
Theoretical weight: 47.96 KDa
Source organism: Salmonella enterica subsp. enterica serovar Cubana str. 76814
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: V7II86 (Residues: 222-622; Coverage: 65%)
Gene names: A628_05061, thrS
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand FQR 1 x FQR
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 85.183Å b: 101.267Å c: 103.427Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.215
Expression system: Escherichia coli BL21(DE3)

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Citations

3 citation in other articles

Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Chen et al. (2021)
2 more