› 3lj2

X-ray diffraction
3.33Å resolution

IRE1 complexed with JAK Inhibitor I

Released:
DOI: 10.2210/pdb3lj2/pdb
PDB entry 3lj2 coloured by chain, front view.
PDB entry 3lj2 coloured by chain, side view.
PDB entry 3lj2 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Wiseman RL, Zhang Y, Lee KP, Harding HP, Haynes CM, Price J, Sicheri F, Ron D
Mol Cell 38 291-304 (2010)
PMID: 20417606

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152278 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase/endoribonuclease IRE1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 434 amino acids
Theoretical weight: 50.28 KDa
Source organism: Saccharomyces cerevisiae
Expression system: Escherichia coli
UniProt:
  • Canonical: P32361 (Residues: 658-1115; Coverage: 40%)
Gene names: ERN1, IRE1, YHR079C
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand IZA 2 x IZA
2 modified residues:
Ligand SEP 4 x SEP
Ligand TPO 2 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P3212
Unit cell:
a: 126.18Å b: 126.18Å c: 175.16Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.256 0.254 0.293
Expression system: Escherichia coli

Quick links

Citations

42 review citations

The unfolded protein response: from stress pathway to homeostatic regulation.
Walter et al. (2011)
41 more

4 mentions without citation

Druggable sensors of the unfolded protein response.
Maly et al. (2014)
3 more