› 6si5

X-ray diffraction
2.1Å resolution

T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one

Released:
DOI: 10.2210/pdb6si5/pdb
PDB entry 6si5 coloured by chain, front view.
PDB entry 6si5 coloured by chain, side view.
PDB entry 6si5 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

2 bound ligands:
Ligand LEQ 1 x LEQ
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P6122
Unit cell:
a: 58.061Å b: 58.061Å c: 396.793Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.203 0.2 0.26
Expression system: Escherichia coli BL21(DE3)

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