› 4gh8

X-ray diffraction
1.85Å resolution

Crystal structure of a 'humanized' E. coli dihydrofolate reductase

Released:
DOI: 10.2210/pdb4gh8/pdb
PDB entry 4gh8 coloured by chain, front view.
PDB entry 4gh8 coloured by chain, side view.
PDB entry 4gh8 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Liu CT, Hanoian P, French JB, Pringle TH, Hammes-Schiffer S, Benkovic SJ
Proc Natl Acad Sci U S A 110 10159-64 (2013)
PMID: 23733948

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
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: 162 amino acids
Theoretical weight: 18.35 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0ABQ4 (Residues: 1-23, 24-50, 51-158; Coverage: 99%)
Gene names: JW0047, b0048, folA, tmrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
2 bound ligands:
Ligand MTX 2 x MTX
Ligand CA 3 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P21
Unit cell:
a: 52.245Å b: 63.773Å c: 62.439Å
α: 90° β: 106.82° γ: 90°
R-values:
R R work R free
0.205 0.203 0.245
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Perspectives on electrostatics and conformational motions in enzyme catalysis.
Hanoian et al. (2015)
8 more

5 mentions without citation

Keep on moving: discovering and perturbing the conformational dynamics of enzymes.
Bhabha et al. (2015)
4 more