› 6yb8

X-ray diffraction
2.36Å resolution

Human octameric PAICS in complex with CAIR and SAICAR

Released:
DOI: 10.2210/pdb6yb8/pdb
PDB entry 6yb8 coloured by chain, front view.
PDB entry 6yb8 coloured by chain, side view.
PDB entry 6yb8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
Škerlová J, Unterlass J, Göttmann M, Marttila P, Homan E, Helleday T, Jemth AS, Stenmark P
J Biol Chem 295 11656-11668 (2020)
PMID: 32571877

Function and Biology Details

Reactions catalysed: 
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate = 5-amino-1-(5-phospho-D-ribosyl)imidazole + CO(2)
ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149557 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase Chains: A, B
Molecule details ›
Chains: A, B
Length: 425 amino acids
Theoretical weight: 47.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22234 (Residues: 1-425; Coverage: 100%)
Gene names: ADE2, AIRC, PAICS, PAIS
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand C2R 3 x C2R
Ligand OK8 1 x OK8
Ligand IMD 2 x IMD
Ligand EDO 10 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: I222
Unit cell:
a: 60.878Å b: 153.922Å c: 223.565Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.177 0.235
Expression system: Escherichia coli

Quick links

Citations

2 review citations

From purines to purinergic signalling: molecular functions and human diseases.
Huang et al. (2021)
1 more

3 mentions without citation

Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
Škerlová et al. (2020)
2 more