› 5ccc

X-ray diffraction
1.5Å resolution

wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate

Released:
DOI: 10.2210/pdb5ccc/pdb
PDB entry 5ccc coloured by chain, front view.
PDB entry 5ccc coloured by chain, side view.
PDB entry 5ccc coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
Oyen D, Fenwick RB, Stanfield RL, Dyson HJ, Wright PE
J Am Chem Soc 137 9459-68 (2015)
PMID: 26147643

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: 18.02 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
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 DDF 1 x DDF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 34.131Å b: 58.199Å c: 75.212Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.171 0.238
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Protein Allostery and Conformational Dynamics.
Guo et al. (2016)
7 more

8 mentions without citation

Structure and Engineering of Francisella novicida Cas9.
Hirano et al. (2016)
7 more