› 3efq

X-ray diffraction
2Å resolution

T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714

Released:
DOI: 10.2210/pdb3efq/pdb
PDB 3efq coloured by chain and viewed from the front.
PDB 3efq coloured by chain and viewed from the side.
PDB 3efq coloured by chain and viewed from the top.
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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (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 714 2 x 714
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2
Unit cell:
a: 132.961Å b: 119.157Å c: 63.04Å
α: 90° β: 111.38° γ: 90°
R-values:
R R work R free
0.242 0.24 0.282
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Structure, catalysis, and inhibition mechanism of prenyltransferase.
Chang et al. (2021)
15 more

2 mentions without citation

Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
Zhang et al. (2009)
1 more