› 1dds

X-ray diffraction
2.2Å resolution

MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE

Released:
DOI: 10.2210/pdb1dds/pdb
PDB entry 1dds coloured by chain, front view.
PDB entry 1dds coloured by chain, side view.
PDB entry 1dds coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
The effect of denaturants on protein structure.
Dunbar J, Yennawar HP, Banerjee S, Luo J, Farber GK
Protein Sci 6 1727-33 (1997)
PMID: 9260285

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142197 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 159 amino acids
Theoretical weight: 18.02 KDa
Source organism: Escherichia coli
Expression system: [Clostridium] polysaccharolyticum
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

3 bound ligands:
Ligand CL 2 x CL
Ligand MTX 2 x MTX
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P61
Unit cell:
a: 93.181Å b: 93.185Å c: 73.886Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.177 0.2
Expression system: [Clostridium] polysaccharolyticum

Quick links

Citations

3 review citations

Recent applications of Kirkwood-Buff theory to biological systems.
Pierce et al. (2008)
2 more

5 mentions without citation

Mechanisms and implications of dual-acting methotrexate in folate-targeted nanotherapeutic delivery.
Wong et al. (2015)
4 more