› 3sai

X-ray diffraction
2.25Å resolution

Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015

Released:
DOI: 10.2210/pdb3sai/pdb
PDB entry 3sai coloured by chain, front view.
PDB entry 3sai coloured by chain, side view.
PDB entry 3sai 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)
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
3 bound ligands:
Ligand 9DR 2 x 9DR
Ligand PEG 4 x PEG
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P42
Unit cell:
a: 77.88Å b: 77.88Å c: 67.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.253
Expression system: Escherichia coli

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