3nrr

X-ray diffraction
1.8Å resolution

Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-108218 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 515 amino acids
Theoretical weight: 58.58 KDa
Source organism: Babesia bovis
Expression system: Escherichia coli
UniProt:
  • Canonical: A7ASX7 (Residues: 1-511; Coverage: 100%)
Gene name: BBOV_II000780
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P1
Unit cell:
a: 51.33Å b: 83.83Å c: 83.92Å
α: 119.61° β: 102.04° γ: 90.26°
R-values:
R R work R free
0.196 0.194 0.236
Expression system: Escherichia coli