› 5hf0

X-ray diffraction
2.24Å resolution

Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)

Released:
DOI: 10.2210/pdb5hf0/pdb
PDB entry 5hf0 coloured by chain, front view.
PDB entry 5hf0 coloured by chain, side view.
PDB entry 5hf0 coloured by chain, top view.
Source organism: Staphylococcus aureus
Entry authors: Anderson AC, Reeve SM

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: 160 amino acids
Theoretical weight: 18.4 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


Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
Ligand GOL 1 x GOL
Ligand U06 1 x U06
Ligand XNP 1 x XNP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P6122
Unit cell:
a: 79.098Å b: 79.098Å c: 107.931Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.168 0.217
Expression system: Escherichia coli BL21(DE3)

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