› 6r38

X-ray diffraction
2.33Å resolution

T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid

Released:
DOI: 10.2210/pdb6r38/pdb
PDB 6r38 coloured by chain and viewed from the front.
PDB 6r38 coloured by chain and viewed from the side.
PDB 6r38 coloured by chain and viewed from the top.
Source organism: Trypanosoma brucei
Primary publication:
Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Muenzker L, Wolfgang J
Thesis (2019)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Farnesyl pyrophosphate synthase Chain: A
Molecule details ›
Chain: A
Length: 369 amino acids
Theoretical weight: 42.17 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q86C09 (Residues: 1-367; Coverage: 100%)
Sequence domains: Polyprenyl synthetase

Ligands and Environments

2 bound ligands:
Ligand JQE 1 x JQE
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P6122
Unit cell:
a: 60.839Å b: 60.839Å c: 339.99Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.225 0.224 0.249
Expression system: Escherichia coli

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