› 3m08

X-ray diffraction
2.01Å resolution

Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1

Released:
DOI: 10.2210/pdb3m08/pdb
PDB entry 3m08 coloured by chain, front view.
PDB entry 3m08 coloured by chain, side view.
PDB entry 3m08 coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1.
Bourne CR, Barrow EW, Bunce RA, Bourne PC, Berlin KD, Barrow WW
Antimicrob Agents Chemother 54 3825-33 (2010)
PMID: 20606069

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: A
Molecule details ›
Chain: A
Length: 161 amino acids
Theoretical weight: 18.44 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
2 bound ligands:
Ligand RAR 1 x RAR
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P6122
Unit cell:
a: 79.18Å b: 79.18Å c: 107.89Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.179 0.175 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Genome-Scale Metabolic Modeling for Unraveling Molecular Mechanisms of High Threat Pathogens.
Sertbas et al. (2020)
1 more

5 mentions without citation

Antifolate agents: a patent review (2006 - 2010).
Wright et al. (2011)
4 more