› 6dfr

X-ray diffraction
2.4Å resolution

CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE

Released:
DOI: 10.2210/pdb6dfr/pdb
PDB entry 6dfr coloured by chain, front view.
PDB entry 6dfr coloured by chain, side view.
PDB entry 6dfr coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state.
Bystroff C, Oatley SJ, Kraut J
Biochemistry 29 3263-77 (1990)
PMID: 2185835

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: Not provided
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
1 bound ligand:
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 34.853Å b: 59Å c: 81.282Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 not available not available
Expression system: Not provided

Quick links

Citations

11 review citations

Structure, dynamics, and catalytic function of dihydrofolate reductase.
Schnell et al. (2004)
10 more

3 mentions without citation

Binding-site assessment by virtual fragment screening.
Huang et al. (2010)
2 more