› 4q15

X-ray diffraction
2.35Å resolution

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Halofuginone and AMPPNP in space group P212121 at 2.35 A

Released:
DOI: 10.2210/pdb4q15/pdb
PDB entry 4q15 coloured by chain, front view.
PDB entry 4q15 coloured by chain, side view.
PDB entry 4q15 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Hewitt SN, Dranow DM, Horst BG, Abendroth JA, Forte B, Hallyburton I, Jansen C, Baragaña B, Choi R, Rivas KL, Hulverson MA, Dumais M, Edwards TE, Lorimer DD, Fairlamb AH, Gray DW, Read KD, Lehane AM, Kirk K, Myler PJ, Wernimont A, Walpole C, Stacy R, Barrett LK, Gilbert IH, Van Voorhis WC
ACS Infect Dis 3 34-44 (2017)
PMID: 27798837

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-184694 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Proline--tRNA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 506 amino acids
Theoretical weight: 58.99 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8I5R7 (Residues: 249-746; Coverage: 67%)
Gene names: PF3D7_1213800, PFL0670c, PRS, proRS
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MG 2 x MG
Ligand ANP 2 x ANP
Ligand HFG 2 x HFG
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 76.58Å b: 78.09Å c: 167.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.219
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Roles of aminoacyl-tRNA synthetases in immune regulation and immune diseases.
Nie et al. (2019)
2 more

3 mentions without citation

Three-dimensional structures in the design of therapeutics targeting parasitic protozoa: reflections on the past, present and future.
Hol WG. (2015)
2 more