› 6aoi

X-ray diffraction
2.97Å resolution

Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (TRC-2528)

Released:
DOI: 10.2210/pdb6aoi/pdb
PDB entry 6aoi coloured by chain, front view.
PDB entry 6aoi coloured by chain, side view.
PDB entry 6aoi coloured by chain, top view.
Source organism: Toxoplasma gondii
Entry authors: Thomas SB, Li Y, Chen Z, Lu H

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
Molecule details ›
Chains: A, B
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:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand UMP 2 x UMP
Ligand CB3 2 x CB3
Ligand BOJ 2 x BOJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P212121
Unit cell:
a: 53.437Å b: 145.053Å c: 174.503Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.217 0.276
Expression system: Escherichia coli

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