› 2i19

X-ray diffraction
2.28Å resolution

T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate

Released:
DOI: 10.2210/pdb2i19/pdb
PDB entry 2i19 coloured by chain, front view.
PDB entry 2i19 coloured by chain, side view.
PDB entry 2i19 coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
Mao J, Mukherjee S, Zhang Y, Cao R, Sanders JM, Song Y, Zhang Y, Meints GA, Gao YG, Mukkamala D, Hudock MP, Oldfield E
J Am Chem Soc 128 14485-97 (2006)
PMID: 17090032

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-183122 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 390 amino acids
Theoretical weight: 44.48 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q86C09 (Residues: 1-367; Coverage: 100%)
Sequence domains: Polyprenyl synthetase
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

2 bound ligands:
Ligand MG 6 x MG
Ligand 1BY 2 x 1BY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: C2
Unit cell:
a: 133.214Å b: 119.551Å c: 62.438Å
α: 90° β: 111.93° γ: 90°
R-values:
R R work R free
0.217 0.217 0.244
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Mechanisms of action of bisphosphonates: similarities and differences and their potential influence on clinical efficacy.
Russell et al. (2008)
5 more

3 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)
2 more