› 6ii7

X-ray diffraction
2.48Å resolution

Crystal structure of Plasmodium falciparum adenosine deaminase C27Q+L227I mutant co-complexed with Zn ion, hypoxanthine and inosine

Released:
DOI: 10.2210/pdb6ii7/pdb
PDB entry 6ii7 coloured by chain, front view.
PDB entry 6ii7 coloured by chain, side view.
PDB entry 6ii7 coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Crystal structure of Plasmodium falciparum adenosine deaminase reveals a novel binding pocket for inosine.
Jaruwat A, Riangrungroj P, Ubonprasert S, Sae-Ueng U, Kuaprasert B, Yuthavong Y, Leartsakulpanich U, Chitnumsub P
Arch Biochem Biophys 667 6-13 (2019)
PMID: 31002765

Function and Biology Details

Reactions catalysed: 
S-methyl-5'-thioadenosine + H(2)O = S-methyl-5'-thioinosine + NH(3)
2'-deoxyadenosine + H(2)O = 2'-deoxyinosine + NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184797 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine deaminase Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 42.55 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8IJA9 (Residues: 1-367; Coverage: 100%)
Gene names: ADA, PF3D7_1029600
Sequence domains: Adenosine deaminase
Structure domains: Metal-dependent hydrolases

Ligands and Environments

3 bound ligands:
Ligand NOS 1 x NOS
Ligand HPA 1 x HPA
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: Cu FINE FOCUS
Spacegroup: P212121
Unit cell:
a: 48.605Å b: 62.553Å c: 126.703Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.173 0.239
Expression system: Escherichia coli BL21(DE3)

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