› 5w3q

X-ray diffraction
1.4Å resolution

L28F E.coli DHFR in complex with NADPH

Released:
DOI: 10.2210/pdb5w3q/pdb
PDB entry 5w3q coloured by chain, front view.
PDB entry 5w3q coloured by chain, side view.
PDB entry 5w3q coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
Oyen D, Fenwick RB, Aoto PC, Stanfield RL, Wilson IA, Dyson HJ, Wright PE
OpenAccess logo J Am Chem Soc 139 11233-11240 (2017)
PMID: 28737940

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: 159 amino acids
Theoretical weight: 18.05 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


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

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 34.337Å b: 45.166Å c: 97.77Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.14 0.139 0.168
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Chemical shift-based methods in NMR structure determination.
Nerli et al. (2018)
13 other articles

2 mentions without citation

Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
Oyen et al. (2017)
1 more