› 1rx2

X-ray diffraction
1.8Å resolution

DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)

Released:
DOI: 10.2210/pdb1rx2/pdb
PDB entry 1rx2 coloured by chain, front view.
PDB entry 1rx2 coloured by chain, side view.
PDB entry 1rx2 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Sawaya MR, Kraut J
Biochemistry 36 586-603 (1997)
PMID: 9012674

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 domain:

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: 18.02 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


Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
Ligand MN 1 x MN
Ligand FOL 1 x FOL
Ligand BME 1 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P212121
Unit cell:
a: 34.321Å b: 45.508Å c: 98.912Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.171 not available
Expression system: Escherichia coli

Quick links

Citations

40 review citations

Understanding protein non-folding.
Uversky et al. (2010)
39 more

121 mentions without citation

Characterization of the fast dynamics of protein amino acid side chains using NMR relaxation in solution.
Igumenova et al. (2006)
120 more