› 3sa2

X-ray diffraction
2.25Å resolution

Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014

Released:
DOI: 10.2210/pdb3sa2/pdb
PDB entry 3sa2 coloured by chain, front view.
PDB entry 3sa2 coloured by chain, side view.
PDB entry 3sa2 coloured by chain, top view.
Source organism: Bacillus anthracis
Entry authors: Anderson AC, Beierlein JM

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 165 amino acids
Theoretical weight: 19.61 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 2 x NAP
1 bound ligand:
Ligand 7DR 2 x 7DR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P42
Unit cell:
a: 78.265Å b: 78.265Å c: 66.997Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.234 0.257
Expression system: Escherichia coli

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