› 3i8a

X-ray diffraction
2.41Å resolution

Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)

Released:
DOI: 10.2210/pdb3i8a/pdb
PDB entry 3i8a coloured by chain, front view.
PDB entry 3i8a coloured by chain, side view.
PDB entry 3i8a coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Towards the understanding of resistance mechanisms in clinically isolated trimethoprim-resistant, methicillin-resistant Staphylococcus aureus dihydrofolate reductase.
Frey KM, Lombardo MN, Wright DL, Anderson AC
J Struct Biol 170 93-7 (2010)
PMID: 20026215

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: 18.01 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 NDP 1 x NDP
1 bound ligand:
Ligand N22 1 x N22
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P6122
Unit cell:
a: 79.164Å b: 79.164Å c: 108.96Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.206 0.261
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Utility of the Biosynthetic Folate Pathway for Targets in Antimicrobial Discovery.
Bourne CR. (2014)
3 more

2 mentions without citation

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