› 2pu1

X-ray diffraction
1.8Å resolution

Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH)

Released:
DOI: 10.2210/pdb2pu1/pdb
PDB entry 2pu1 coloured by chain, front view.
PDB entry 2pu1 coloured by chain, side view.
PDB entry 2pu1 coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
de A S Navarro MV, Gomes Dias SM, Mello LV, da Silva Giotto MT, Gavalda S, Blonski C, Garratt RC, Rigden DJ
FEBS J 274 5077-89 (2007)
PMID: 17822439

Function and Biology Details

Reaction catalysed: 
2-phospho-D-glycerate = phosphoenolpyruvate + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192421 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
phosphopyruvate hydratase Chain: A
Molecule details ›
Chain: A
Length: 432 amino acids
Theoretical weight: 46.9 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NDH8 (Residues: 1-429; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 3 x ZN
Ligand FSG 1 x FSG
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU ULTRAX 18
Spacegroup: C2221
Unit cell:
a: 74.809Å b: 110.644Å c: 109.006Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.162 0.206
Expression system: Escherichia coli

Quick links

Citations

3 review citations

State of the art in African trypanosome drug discovery.
Jacobs et al. (2011)
2 more

2 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
1 more