› 3d80

X-ray diffraction
1.4Å resolution

Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine

Released:
DOI: 10.2210/pdb3d80/pdb
PDB entry 3d80 coloured by chain, front view.
PDB entry 3d80 coloured by chain, side view.
PDB entry 3d80 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Cody V, Pace J, Rosowsky A
Acta Crystallogr D Biol Crystallogr 64 977-84 (2008)
PMID: 18703847

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132450 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 186 amino acids
Theoretical weight: 21.5 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00375 (Residues: 2-187; Coverage: 100%)
Gene name: Dhfr
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
2 bound ligands:
Ligand Q22 1 x Q22
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P21
Unit cell:
a: 41.482Å b: 61.3Å c: 43.589Å
α: 90° β: 117.23° γ: 90°
R-values:
R R work R free
0.22 0.199 0.236
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Bhabha et al. (2013)
2 more

4 mentions without citation

Site-specific bioconjugation of a murine dihydrofolate reductase enzyme by copper(I)-catalyzed azide-alkyne cycloaddition with retained activity.
Lim et al. (2014)
3 more