› 3au8

X-ray diffraction
1.86Å resolution

Crystal structure of the ternary complex of an isomerase

Released:
DOI: 10.2210/pdb3au8/pdb
PDB entry 3au8 coloured by chain, front view.
PDB entry 3au8 coloured by chain, side view.
PDB entry 3au8 coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum.
Umeda T, Tanaka N, Kusakabe Y, Nakanishi M, Kitade Y, Nakamura KT
OpenAccess logo Sci Rep 1 9 (2011)
PMID: 22355528

Function and Biology Details

Reaction catalysed: 
2-C-methyl-D-erythritol 4-phosphate + NADP(+) = 1-deoxy-D-xylulose 5-phosphate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132155 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic Chains: A, B
Molecule details ›
Chains: A, B
Length: 488 amino acids
Theoretical weight: 55.83 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: O96693 (Residues: 1-488; Coverage: 100%)
Gene name: DXR
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand MN 2 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-17A
Spacegroup: C2
Unit cell:
a: 168.383Å b: 58.529Å c: 86.074Å
α: 90° β: 117.74° γ: 90°
R-values:
R R work R free
0.203 0.2 0.246
Expression system: Escherichia coli

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Citations

6 review citations

Mechanistic aspects of carotenoid biosynthesis.
Moise et al. (2014)
5 more

3 mentions without citation

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
2 more