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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese

X-ray diffraction
1.6Å resolution
PDB entry 4y67 coloured by chain, front view.
PDB entry 4y67 coloured by chain, side view.
PDB entry 4y67 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
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: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic
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Multimeric state: homo dimer
Accessible surface area: 32601.81 Å2
Buried surface area: 3786.09 Å2
Dissociation area: 1,893.04 Å2
Dissociation energy (ΔGdiss): 19.91 kcal/mol
Dissociation entropy (TΔSdiss): 14.39 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-568845

Macromolecules

1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic
Chains: A, B
Length: 422 amino acids
Theoretical weight: 48.16 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8IKG4 (Residues: 75-488; Coverage: 85%)
Gene names: DXR, PF14_0641, PF3D7_1467300
Pfam:
InterPro:
CATH:
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic in PDB entry 4y67, assembly 1, front view.
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic in PDB entry 4y67, assembly 1, side view.
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic in PDB entry 4y67, assembly 1, top view.
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