› 6mth

X-ray diffraction
1.35Å resolution

E. coli DHFR complex modeled with three ligand states

Released:
DOI: 10.2210/pdb6mth/pdb
PDB entry 6mth coloured by chain, front view.
PDB entry 6mth coloured by chain, side view.
PDB entry 6mth coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Cao H, Skolnick J
Struct Dyn 6 024701 (2019)
PMID: 30868089

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 Chain: A
Molecule details ›
Chain: A
Length: 165 amino acids
Theoretical weight: 18.85 KDa
Source organism: Escherichia coli K-12
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 CL 3 x CL
Ligand MG 4 x MG
Ligand THG 2 x THG
Ligand DHF 1 x DHF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 34.05Å b: 51.666Å c: 79.014Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.19
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Emerging Time-Resolved X-Ray Diffraction Approaches for Protein Dynamics.
Hekstra DR. (2023)
2 other articles

7 mentions without citation

Palliative radiotherapy indications during the COVID-19 pandemic and in future complex logistic settings: the NORMALITY model.
Cellini et al. (2021)
6 more