› 4cwa

X-ray diffraction
2.02Å resolution

Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine

Released:
DOI: 10.2210/pdb4cwa/pdb
PDB entry 4cwa coloured by chain, front view.
PDB entry 4cwa coloured by chain, side view.
PDB entry 4cwa coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Three-dimensional structures of Plasmodium falciparum spermidine synthase with bound inhibitors suggest new strategies for drug design.
Sprenger J, Svensson B, Hålander J, Carey J, Persson L, Al-Karadaghi S
OpenAccess logo Acta Crystallogr D Biol Crystallogr 71 484-93 (2015)
PMID: 25760598

Function and Biology Details

Reaction catalysed: 
S-adenosyl 3-(methylthio)propylamine + putrescine = 5'-S-methyl-5'-thioadenosine + spermidine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184780 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
PABS domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 283 amino acids
Theoretical weight: 32.22 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8II73 (Residues: 40-321; Coverage: 88%)
Gene name: PF3D7_1129000
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand JA2 2 x JA2
Ligand 1PG 1 x 1PG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-2
Spacegroup: C2
Unit cell:
a: 197.498Å b: 134.38Å c: 48.277Å
α: 90° β: 94.53° γ: 90°
R-values:
R R work R free
0.207 0.205 0.241
Expression system: Escherichia coli BL21(DE3)

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Citations

6 citation in other articles

Plasmodium AdoMetDC/ODC bifunctional enzyme is essential for male sexual stage development and mosquito transmission.
Hart et al. (2016)
5 more

8 mentions without citation

Polyamines in protozoan pathogens.
Phillips MA. (2018)
7 more