› 2kgk

Solution NMR

Solution structure of Bacillus anthracis dihydrofolate reductase

Released:
DOI: 10.2210/pdb2kgk/pdb
PDB entry 2kgk coloured by chain, ensemble of 15 models, front view.
PDB entry 2kgk coloured by chain, ensemble of 15 models, side view.
PDB entry 2kgk coloured by chain, ensemble of 15 models, top view.
Source organism: Bacillus anthracis
Primary publication:
The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors.
Beierlein JM, Deshmukh L, Frey KM, Vinogradova O, Anderson AC
Biochemistry 48 4100-8 (2009)
PMID: 19323450

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-182584 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 172 amino acids
Theoretical weight: 20.5 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q81R22 (Residues: 1-162; Coverage: 100%)
Gene names: GBAA_2237, dfrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand N22 1 x N22
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: DGSA-distance geometry simulated annealing
Expression system: Escherichia coli

Quick links

Citations

2 review citations

New developments in vaccines, inhibitors of anthrax toxins, and antibiotic therapeutics for Bacillus anthracis.
Beierlein et al. (2011)
1 more

3 mentions without citation

Antifolate agents: a patent review (2006 - 2010).
Wright et al. (2011)
2 more