› 7a0p

X-ray diffraction
2.18Å resolution

Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i

Released:
DOI: 10.2210/pdb7a0p/pdb
PDB entry 7a0p coloured by chain, front view.
PDB entry 7a0p coloured by chain, side view.
PDB entry 7a0p coloured by chain, top view.
Source organism: Neisseria gonorrhoeae
Primary publication:
Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
De Ruysscher D, Pang L, Lenders SMG, Cappoen D, Cos P, Rozenski J, Strelkov SV, Weeks SD, Van Aerschot A
Eur J Med Chem 211 113021 (2021)
PMID: 33248851

Function and Biology Details

Reaction catalysed: 
ATP + L-leucine + tRNA(Leu) = AMP + diphosphate + L-leucyl-tRNA(Leu)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177091 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Leucine--tRNA ligase Chain: A
Molecule details ›
Chain: A
Length: 877 amino acids
Theoretical weight: 98.19 KDa
Source organism: Neisseria gonorrhoeae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5FAJ3 (Residues: 1-876; Coverage: 100%)
Gene names: NGO_0006, leuS
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand EDO 3 x EDO
Ligand ZN 1 x ZN
Ligand QTW 1 x QTW
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P212121
Unit cell:
a: 49.004Å b: 81.071Å c: 225.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.243
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Aminoacyl-tRNA Synthetases as Valuable Targets for Antimicrobial Drug Discovery.
Pang et al. (2021)
3 other articles