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Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP

X-ray diffraction
2.4Å resolution
PDB entry 3um5 coloured by chain, front view.
PDB entry 3um5 coloured by chain, side view.
PDB entry 3um5 coloured by chain, top view.
Source organism: Plasmodium falciparum
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Bifunctional dihydrofolate reductase-thymidylate synthase
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Multimeric state: homo dimer
Accessible surface area: 46636.38 Å2
Buried surface area: 13277.37 Å2
Dissociation area: 4,133.4 Å2
Dissociation energy (ΔGdiss): 49.42 kcal/mol
Dissociation entropy (TΔSdiss): 15.97 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-108405

Macromolecules

Bifunctional dihydrofolate reductase-thymidylate synthase
Chains: A, B
Length: 608 amino acids
Theoretical weight: 71.87 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Best match: A7UD81 (Residues: 1-608)
Gene names: DHFR-TS, dhfr-ts
Bifunctional dihydrofolate reductase-thymidylate synthase in PDB entry 3um5, assembly 1, front view.
Bifunctional dihydrofolate reductase-thymidylate synthase in PDB entry 3um5, assembly 1, side view.
Bifunctional dihydrofolate reductase-thymidylate synthase in PDB entry 3um5, assembly 1, top view.
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