› 5hf2

X-ray diffraction
1.81Å resolution

Staphylococcus aureus Dihydrofolate Reductase complexed with cyclized alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1175)

Released:
DOI: 10.2210/pdb5hf2/pdb
PDB entry 5hf2 coloured by chain, front view.
PDB entry 5hf2 coloured by chain, side view.
PDB entry 5hf2 coloured by chain, top view.
Source organism: Staphylococcus aureus
Entry authors: Reeve SM, Anderson AC

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-140887 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: X
Molecule details ›
Chain: X
Length: 157 amino acids
Theoretical weight: 18.02 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A017 (Residues: 2-158; Coverage: 99%)
Gene name: folA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

3 bound ligands:
Ligand XNP 1 x XNP
Ligand U75 1 x U75
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P6122
Unit cell:
a: 79.022Å b: 79.022Å c: 108.247Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.199 0.232
Expression system: Escherichia coli BL21(DE3)

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