› 6b07

X-ray diffraction
1.98Å resolution

Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d)

Released:
DOI: 10.2210/pdb6b07/pdb
PDB entry 6b07 coloured by chain, front view.
PDB entry 6b07 coloured by chain, side view.
PDB entry 6b07 coloured by chain, top view.
Source organism: Choristoneura fumiferana
Primary publication:
Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Picard MÈ, Nisole A, Béliveau C, Sen S, Barbar A, Shi R, Cusson M
Insect Biochem Mol Biol 92 84-92 (2018)
PMID: 29183817

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173090 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 341 amino acids
Theoretical weight: 39.16 KDa
Source organism: Choristoneura fumiferana
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q1XAB1 (Residues: 57-397; Coverage: 86%)
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

3 bound ligands:
Ligand C6M 3 x C6M
Ligand MG 9 x MG
Ligand EDO 7 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 186.913Å b: 122.579Å c: 69.064Å
α: 90° β: 106.51° γ: 90°
R-values:
R R work R free
0.173 0.171 0.209
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 citation in other articles

Insights about the structure of farnesyl diphosphate synthase (FPPS) and the activity of bisphosphonates on the proliferation and ultrastructure of Leishmania and Giardia.
Gadelha et al. (2020)
2 more

1 mention without citation

Phosphonate and Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthases: A Structure-Guided Perspective.
Park et al. (2020)