3k2h

X-ray diffraction
2.2Å resolution

Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed 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: 511 amino acids
Theoretical weight: 58.28 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
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P1
Unit cell:
a: 51.144Å b: 83.196Å c: 83.378Å
α: 119.69° β: 90.85° γ: 101.71°
R-values:
R R work R free
0.192 0.19 0.239
Expression system: Escherichia coli