› 5uip

X-ray diffraction
1.9Å resolution

structure of DHFR with bound DAP, p-ABG and NADP

Released:
DOI: 10.2210/pdb5uip/pdb
Model geometry
Fit model/data
PDB entry 5uip coloured by chain, front view.
PDB entry 5uip coloured by chain, side view.
PDB entry 5uip coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
A Structural Basis for Biguanide Activity.
Gabel SA, Duff MR, Pedersen LC, DeRose EF, Krahn JM, Howell EE, London RE
Biochemistry 56 4786-4798 (2017)
PMID: 28766937

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 163 amino acids
Theoretical weight: 18.16 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0ABQ4 (Residues: 2-159; Coverage: 99%)
Gene names: JW0047, b0048, folA, tmrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
3 bound ligands:
Ligand 8DM 2 x 8DM
Ligand LG3 2 x LG3
Ligand NA 2 x NA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P1
Unit cell:
a: 38.597Å b: 46.115Å c: 47.982Å
α: 78.04° β: 75.8° γ: 75.53°
R-values:
R R work R free
0.16 0.158 0.191
Expression system: Escherichia coli

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Citations

3 review citations

Effects of Antidiabetic Drugs on Gut Microbiota Composition.
Montandon et al. (2017)
2 more

1 mention without citation

A Structural Basis for Biguanide Activity.
Gabel et al. (2017)