› 7vc2

X-ray diffraction
2.1Å resolution

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21

Released:
DOI: 10.2210/pdb7vc2/pdb
PDB entry 7vc2 coloured by chain, front view.
PDB entry 7vc2 coloured by chain, side view.
PDB entry 7vc2 coloured by chain, top view.
Source organism: Toxoplasma gondii
Primary publication:
Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Yogavel M, Bougdour A, Mishra S, Malhotra N, Chhibber-Goel J, Bellini V, Harlos K, Laleu B, Hakimi MA, Sharma A
PLoS Pathog 19 e1011124 (2023)
PMID: 36854028

Function and Biology Details

Reaction catalysed: 
ATP + L-proline + tRNA(Pro) = AMP + diphosphate + L-prolyl-tRNA(Pro)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105862 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
proline--tRNA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 500 amino acids
Theoretical weight: 57.94 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A7J6JUK2 (Residues: 215-711; Coverage: 70%)
Gene name: TGRH88_057780
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand 1UI 2 x 1UI
Ligand PRO 2 x PRO
Ligand EDO 12 x EDO
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P21
Unit cell:
a: 77.1Å b: 81.62Å c: 104.88Å
α: 90° β: 102.68° γ: 90°
R-values:
R R work R free
0.179 0.177 0.218
Expression system: Escherichia coli

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