› 4rxd

X-ray diffraction
2Å resolution

T. Brucei Farnesyl Diphosphate Synthase Complexed with Risedronate

Released:
DOI: 10.2210/pdb4rxd/pdb
PDB entry 4rxd coloured by chain, front view.
PDB entry 4rxd coloured by chain, side view.
PDB entry 4rxd coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
Liu YL, Cao R, Wang Y, Oldfield E
ACS Med Chem Lett 6 349-54 (2015)
PMID: 25815158

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-567221 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase Chains: A, B, C
Molecule details ›
Chains: A, B, C
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 9 x MG
Ligand RIS 3 x RIS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: C2
Unit cell:
a: 156.34Å b: 90.305Å c: 88.709Å
α: 90° β: 89.91° γ: 90°
R-values:
R R work R free
0.213 0.211 0.251
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Approaches for Designing new Potent Inhibitors of Farnesyl Pyrophosphate Synthase.
Rodriguez et al. (2016)
2 more

2 mentions without citation

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