› 3jvx

X-ray diffraction
2.25Å resolution

Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)

Released:
DOI: 10.2210/pdb3jvx/pdb
PDB entry 3jvx coloured by chain, front view.
PDB entry 3jvx coloured by chain, side view.
PDB entry 3jvx coloured by chain, top view.
Source organism: Bacillus anthracis
Entry authors: Anderson AC, Beierlein JM, Karri NG

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182585 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 168 amino acids
Theoretical weight: 20.02 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 NDP 2 x NDP
1 bound ligand:
Ligand EKB 2 x EKB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P42
Unit cell:
a: 78.241Å b: 78.241Å c: 66.79Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.208
Expression system: Escherichia coli

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