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Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111E)

X-ray diffraction
1.76Å resolution
PDB entry 4hoe coloured by chain, front view.
PDB entry 4hoe coloured by chain, side view.
PDB entry 4hoe coloured by chain, top view.
Source organism: Candida albicans
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 9789.85 Å2
Buried surface area: 1533.12 Å2
Dissociation area: 117.45 Å2
Dissociation energy (ΔGdiss): 0.27 kcal/mol
Dissociation entropy (TΔSdiss): 0.84 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149838
Assembly 2
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Assembly Name: Dihydrofolate reductase
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Multimeric state: monomeric
Accessible surface area: 10154.08 Å2
Buried surface area: 1587.63 Å2
Dissociation area: 143.17 Å2
Dissociation energy (ΔGdiss): 0.39 kcal/mol
Dissociation entropy (TΔSdiss): 0.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-149838

Macromolecules

Dihydrofolate reductase
Chains: A, B
Length: 192 amino acids
Theoretical weight: 22.19 KDa
Source organism: Candida albicans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P22906 (Residues: 1-192; Coverage: 100%)
Gene name: DFR1
Pfam: Dihydrofolate reductase
InterPro:
CATH: Dihydrofolate Reductase, subunit A
Dihydrofolate reductase in PDB entry 4hoe, assembly 1, front view.
Dihydrofolate reductase in PDB entry 4hoe, assembly 1, side view.
Dihydrofolate reductase in PDB entry 4hoe, assembly 1, top view.
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