› 4g8z

X-ray diffraction
1.75Å resolution

pcDHFR K37S/F69N double mutant TMP NADPH ternary complex

Released:
DOI: 10.2210/pdb4g8z/pdb
PDB entry 4g8z coloured by chain, front view.
PDB entry 4g8z coloured by chain, side view.
PDB entry 4g8z coloured by chain, top view.
Source organism: Pneumocystis jirovecii
Primary publication:
Kinetic and structural analysis for potent antifolate inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and human dihydrofolate reductases and their active-site variants.
Cody V, Pace J, Queener SF, Adair OO, Gangjee A
Antimicrob Agents Chemother 57 2669-77 (2013)
PMID: 23545530

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-147657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: X
Molecule details ›
Chain: X
Length: 204 amino acids
Theoretical weight: 23.38 KDa
Source organism: Pneumocystis jirovecii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P16184 (Residues: 3-206; Coverage: 99%)
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: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 37.157Å b: 42.783Å c: 59.172Å
α: 90° β: 94.78° γ: 90°
R-values:
R R work R free
0.261 0.259 0.316
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

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