› 5ujx

X-ray diffraction
1.8Å resolution

Crystal structure of DHFR in 20% Isopropanol

Released:
DOI: 10.2210/pdb5ujx/pdb
PDB entry 5ujx coloured by chain, front view.
PDB entry 5ujx coloured by chain, side view.
PDB entry 5ujx coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Duff MR, Borreguero JM, Cuneo MJ, Ramanathan A, He J, Kamath G, Chennubhotla SC, Meilleur F, Howell EE, Herwig KW, Myles DAA, Agarwal PK
Biochemistry 57 4263-4275 (2018)
PMID: 29901984

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-142189 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 159 amino acids
Theoretical weight: 18.02 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0ABQ4 (Residues: 1-159; Coverage: 100%)
Gene names: JW0047, b0048, folA, tmrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

4 bound ligands:
Ligand FOL 2 x FOL
Ligand IPA 1 x IPA
Ligand CA 1 x CA
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P61
Unit cell:
a: 91.946Å b: 91.946Å c: 73.088Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.209 0.207 0.253
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

A Biophysical Perspective on Enzyme Catalysis.
Agarwal PK. (2019)
10 more

1 mention without citation

Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Duff et al. (2018)