› 3egt

X-ray diffraction
2Å resolution

T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722

Released:
DOI: 10.2210/pdb3egt/pdb
PDB entry 3egt coloured by chain, front view.
PDB entry 3egt coloured by chain, side view.
PDB entry 3egt coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
Zhang Y, Cao R, Yin F, Hudock MP, Guo RT, Krysiak K, Mukherjee S, Gao YG, Robinson H, Song Y, No JH, Bergan K, Leon A, Cass L, Goddard A, Chang TK, Lin FY, Van Beek E, Papapoulos S, Wang AH, Kubo T, Ochi M, Mukkamala D, Oldfield E
J Am Chem Soc 131 5153-62 (2009)
PMID: 19309137

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: 413 amino acids
Theoretical weight: 46.94 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 722 2 x 722
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2
Unit cell:
a: 133.227Å b: 119.153Å c: 62.957Å
α: 90° β: 111.51° γ: 90°
R-values:
R R work R free
0.206 0.203 0.25
Expression system: Escherichia coli

Quick links

Citations

17 review citations

The relationship between the chemistry and biological activity of the bisphosphonates.
Ebetino et al. (2011)
16 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