› 6r36

X-ray diffraction
1.67Å resolution

T. brucei farnesyl pyrophosphate synthase (FPPS)

Released:
DOI: 10.2210/pdb6r36/pdb
PDB entry 6r36 coloured by chain, front view.
PDB entry 6r36 coloured by chain, side view.
PDB entry 6r36 coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Münzker L, Petrick JK, Schleberger C, Clavel D, Cornaciu I, Wilcken R, Márquez JA, Klebe G, Marzinzik A, Jahnke W
Chembiochem 21 3096-3111 (2020)
PMID: 32537808

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-183122 (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 BL21(DE3)
UniProt:
  • Canonical: Q86C09 (Residues: 1-367; Coverage: 100%)
Sequence domains: Polyprenyl synthetase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P6122
Unit cell:
a: 60.49Å b: 60.49Å c: 340.95Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.219 0.243
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Application of Fragment-Based Drug Discovery to Versatile Targets.
Li Q. (2020)
2 more