› 6r09

X-ray diffraction
1.28Å resolution

T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole

Released:
DOI: 10.2210/pdb6r09/pdb
PDB entry 6r09 coloured by chain, front view.
PDB entry 6r09 coloured by chain, side view.
PDB entry 6r09 coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Petrick JK, Jahnke W
Thesis (2019)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186689 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl diphosphate synthase Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 41.36 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8WS26 (Residues: 64-425; Coverage: 85%)
Sequence domains: Polyprenyl synthetase

Ligands and Environments

3 bound ligands:
Ligand JMK 1 x JMK
Ligand ZN 2 x ZN
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P6122
Unit cell:
a: 58.105Å b: 58.105Å c: 397.072Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.209 0.232
Expression system: Escherichia coli BL21(DE3)

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