› 7vc3

X-ray diffraction
1.97Å resolution

Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution

Released:
DOI: 10.2210/pdb7vc3/pdb
PDB entry 7vc3 coloured by chain, front view.
PDB entry 7vc3 coloured by chain, side view.
PDB entry 7vc3 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
OpenAccess logo 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 Chain: A
Molecule details ›
Chain: A
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

7 bound ligands:
Ligand 1XK 1 x 1XK
Ligand PRO 1 x PRO
Ligand GOL 3 x GOL
Ligand CL 11 x CL
Ligand NA 1 x NA
Ligand SO3 1 x SO3
Ligand ETA 1 x ETA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2
Unit cell:
a: 114.733Å b: 73.644Å c: 74.906Å
α: 90° β: 111.38° γ: 90°
R-values:
R R work R free
0.177 0.175 0.217
Expression system: Escherichia coli

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