› 4eil

X-ray diffraction
2.2Å resolution

Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR

Released:
DOI: 10.2210/pdb4eil/pdb
PDB entry 4eil coloured by chain, front view.
PDB entry 4eil coloured by chain, side view.
PDB entry 4eil coloured by chain, top view.
Source organism: Toxoplasma gondii
Primary publication:
First three-dimensional structure of Toxoplasma gondii thymidylate synthase-dihydrofolate reductase: insights for catalysis, interdomain interactions, and substrate channeling.
Sharma H, Landau MJ, Vargo MA, Spasov KA, Anderson KS
Biochemistry 52 7305-7317 (2013)
PMID: 24053355

Function and Biology Details

Reactions catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 566 amino acids
Theoretical weight: 64.21 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07422 (Residues: 1-610; Coverage: 93%)
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 8 x NDP
3 bound ligands:
Ligand UMP 8 x UMP
Ligand CB3 8 x CB3
Ligand FOL 8 x FOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P1
Unit cell:
a: 53.787Å b: 144.399Å c: 177.605Å
α: 90.01° β: 89.93° γ: 90.38°
R-values:
R R work R free
0.186 0.183 0.233
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Substrate channelling as an approach to cascade reactions.
Wheeldon et al. (2016)
3 more

5 mentions without citation

Understanding the molecular mechanism of substrate channeling and domain communication in protozoal bifunctional TS-DHFR.
Anderson KS. (2017)
4 more