› 3sl0

X-ray diffraction
2Å resolution

Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-(difluoromethyl)hexanoic acid

Released:
DOI: 10.2210/pdb3sl0/pdb
PDB entry 3sl0 coloured by chain, front view.
PDB entry 3sl0 coloured by chain, side view.
PDB entry 3sl0 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Binding of α,α-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
Ilies M, Di Costanzo L, Dowling DP, Thorn KJ, Christianson DW
J Med Chem 54 5432-43 (2011)
PMID: 21728378

Function and Biology Details

Reaction catalysed: 
L-arginine + H(2)O = L-ornithine + urea
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo trimer (preferred)
homo hexamer
Assembly name:
PDBe Complex ID:
PDB-CPX-184656 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Arginase Chain: A
Molecule details ›
Chain: A
Length: 413 amino acids
Theoretical weight: 46.45 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8I384 (Residues: 22-411; Coverage: 95%)
Gene names: ARG, PF3D7_0906500
Sequence domains: Arginase family
Structure domains: Ureohydrolase domain

Ligands and Environments

2 bound ligands:
Ligand MN 2 x MN
Ligand FB5 1 x FB5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: R32
Unit cell:
a: 112.959Å b: 112.959Å c: 229.76Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.167 0.182
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
4 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