› 4tr9

X-ray diffraction
2.11Å resolution

Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor

Released:
DOI: 10.2210/pdb4tr9/pdb
PDB entry 4tr9 coloured by chain, front view.
PDB entry 4tr9 coloured by chain, side view.
PDB entry 4tr9 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex.
Nemetski SM, Cardozo TJ, Bosch G, Weltzer R, O'Malley K, Ejigiri I, Kumar KA, Buscaglia CA, Nussenzweig V, Sinnis P, Levitskaya J, Bosch J
Malar J 14 324 (2015)
PMID: 26289816

Function and Biology Details

Reaction catalysed: 
D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero decamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181188 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Fructose-bisphosphate aldolase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 369 amino acids
Theoretical weight: 40.15 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7KQL9 (Residues: 1-369; Coverage: 100%)
Gene names: FBPA, PF14_0425, PF3D7_1444800
Sequence domains: Fructose-bisphosphate aldolase class-I
Structure domains: Aldolase class I
Fructose-bisphosphate aldolase Chain: E
Molecule details ›
Chain: E
Length: 10 amino acids
Theoretical weight: 1.05 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7KQL9 (Residues: 359-366; Coverage: 2%)
Gene names: FBPA, PF14_0425, PF3D7_1444800
Fructose-bisphosphate aldolase Chain: G
Molecule details ›
Chain: G
Length: 11 amino acids
Theoretical weight: 1.12 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7KQL9 (Residues: 358-366; Coverage: 2%)
Gene names: FBPA, PF14_0425, PF3D7_1444800
VWFA domain-containing protein Chains: H, I, J, K
Molecule details ›
Chains: H, I, J, K
Length: 3 amino acids
Theoretical weight: 433 Da
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q76NM2 (Residues: 572-574; Coverage: 1%)
Gene name: PF3D7_1335900

Ligands and Environments

1 bound ligand:
Ligand 38D 4 x 38D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 69.896Å b: 139.557Å c: 142.099Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.206 0.262
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Stabilization of protein-protein interactions in drug discovery.
Andrei et al. (2017)
3 more

3 mentions without citation

The apicomplexan glideosome and adhesins - Structures and function.
Boucher et al. (2015)
2 more