› 2w9g

X-ray diffraction
1.95Å resolution

Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim

Released:
DOI: 10.2210/pdb2w9g/pdb
PDB entry 2w9g coloured by chain, front view.
PDB entry 2w9g coloured by chain, side view.
PDB entry 2w9g coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Structural comparison of chromosomal and exogenous dihydrofolate reductase from Staphylococcus aureus in complex with the potent inhibitor trimethoprim.
Heaslet H, Harris M, Fahnoe K, Sarver R, Putz H, Chang J, Subramanyam C, Barreiro G, Miller JR
Proteins 76 706-17 (2009)
PMID: 19280600

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: 159 amino acids
Theoretical weight: 18.28 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A017 (Residues: 1-159; Coverage: 100%)
Gene name: folA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
1 bound ligand:
Ligand TOP 1 x TOP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P6122
Unit cell:
a: 79.287Å b: 79.287Å c: 106.254Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.211 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Sulfa and trimethoprim-like drugs - antimetabolites acting as carbonic anhydrase, dihydropteroate synthase and dihydrofolate reductase inhibitors.
Capasso et al. (2014)
6 more

8 mentions without citation

Recent Applications of the Multicomponent Synthesis for Bioactive Pyrazole Derivatives.
Becerra et al. (2022)
7 more