› 3icn

X-ray diffraction
2.4Å resolution

Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium

Released:
DOI: 10.2210/pdb3icn/pdb
PDB entry 3icn coloured by chain, front view.
PDB entry 3icn coloured by chain, side view.
PDB entry 3icn coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Huang CH, Gabelli SB, Oldfield E, Amzel LM
Proteins 78 888-99 (2010)
PMID: 19876942

Function and Biology Details

Reaction catalysed: 
Geranyl diphosphate + isopentenyl diphosphate = diphosphate + (2E,6E)-farnesyl diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188278 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative farnesyl pyrophosphate synthase Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 41.23 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: Q95WL3 (Residues: 1-362; Coverage: 100%)
Gene names: C3747_22g238, ECC02_007468
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

4 bound ligands:
Ligand NI9 1 x NI9
Ligand MG 3 x MG
Ligand SO4 2 x SO4
Ligand IPE 1 x IPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P6122
Unit cell:
a: 57.976Å b: 57.976Å c: 389.756Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.175 0.243
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The relationship between the chemistry and biological activity of the bisphosphonates.
Ebetino et al. (2011)
5 more

2 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
1 more