› 6qu4

X-ray diffraction
2.75Å resolution

Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405

Released:
DOI: 10.2210/pdb6qu4/pdb
PDB entry 6qu4 coloured by chain, front view.
PDB entry 6qu4 coloured by chain, side view.
PDB entry 6qu4 coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Primary publication:
Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
McNae IW, Kinkead J, Malik D, Yen LH, Walker MK, Swain C, Webster SP, Gray N, Fernandes PM, Myburgh E, Blackburn EA, Ritchie R, Austin C, Wear MA, Highton AJ, Keats AJ, Vong A, Dornan J, Mottram JC, Michels PAM, Pettit S, Walkinshaw MD
Nat Commun 12 1052 (2021)
PMID: 33594070

Function and Biology Details

Reaction catalysed: 
ATP + beta-D-fructose 6-phosphate = ADP + beta-D-fructose 1,6-bisphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127542 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ATP-dependent 6-phosphofructokinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 507 amino acids
Theoretical weight: 55.76 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: O15648 (Residues: 1-487; Coverage: 100%)
Gene name: pfk
Sequence domains: Phosphofructokinase

Ligands and Environments

3 bound ligands:
Ligand JJ2 4 x JJ2
Ligand CIT 4 x CIT
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21212
Unit cell:
a: 150.584Å b: 165.088Å c: 83.384Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.218 0.257
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families.
Li et al. (2022)
1 more