› 3fs6

X-ray diffraction
1.23Å resolution

Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes

Released:
DOI: 10.2210/pdb3fs6/pdb
PDB entry 3fs6 coloured by chain, front view.
PDB entry 3fs6 coloured by chain, side view.
PDB entry 3fs6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Correlations of inhibitor kinetics for Pneumocystis jirovecii and human dihydrofolate reductase with structural data for human active site mutant enzyme complexes.
Cody V, Pace J, Makin J, Piraino J, Queener SF, Rosowsky A
Biochemistry 48 1702-11 (2009)
PMID: 19196009

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-132447 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 187 amino acids
Theoretical weight: 21.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00374 (Residues: 1-187; Coverage: 100%)
Gene name: DHFR
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
1 bound ligand:
Ligand DH1 1 x DH1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: R3
Unit cell:
a: 84.098Å b: 84.098Å c: 78.054Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.246 0.245 0.26
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Trimethoprim resistance of dihydrofolate reductase variants from clinical isolates of Pneumocystis jirovecii.
Queener et al. (2013)
8 more

1 mention without citation

Correlations of inhibitor kinetics for Pneumocystis jirovecii and human dihydrofolate reductase with structural data for human active site mutant enzyme complexes.
Cody et al. (2009)