› 3rie

X-ray diffraction
1.9Å resolution

The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine

Released:
DOI: 10.2210/pdb3rie/pdb
PDB entry 3rie coloured by chain, front view.
PDB entry 3rie coloured by chain, side view.
PDB entry 3rie coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail.
Burger PB, Williams M, Sprenger J, Reeksting SB, Botha M, Müller IB, Joubert F, Birkholtz LM, Louw AI
Malar J 14 54 (2015)
PMID: 25651815

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: 41-321; Coverage: 88%)
Gene name: PF3D7_1129000
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MTA 3 x MTA
Ligand JFQ 3 x JFQ
Ligand GOL 3 x GOL
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: 196.8Å b: 134.59Å c: 48.46Å
α: 90° β: 94.55° γ: 90°
R-values:
R R work R free
0.18 0.178 not available
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 citation in other articles

The Aspergillus flavus Spermidine Synthase (spds) Gene, Is Required for Normal Development, Aflatoxin Production, and Pathogenesis During Infection of Maize Kernels.
Majumdar et al. (2018)
3 more

5 mentions without citation

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