› 4z7h

X-ray diffraction
2.9Å resolution

Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3

Released:
DOI: 10.2210/pdb4z7h/pdb
PDB entry 4z7h coloured by chain, front view.
PDB entry 4z7h coloured by chain, side view.
PDB entry 4z7h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Joshi A, Newbatt Y, McAndrew PC, Stubbs M, Burke R, Richards MW, Bhatia C, Caldwell JJ, McHardy T, Collins I, Bayliss R
Oncotarget 6 13019-35 (2015)
PMID: 25968568

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130961 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase/endoribonuclease IRE1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 416 amino acids
Theoretical weight: 47.76 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75460 (Residues: 562-977; Coverage: 43%)
Gene names: ERN1, IRE1
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 4L5 2 x 4L5
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 78.678Å b: 81.957Å c: 168.682Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.225
Expression system: Spodoptera frugiperda

Quick links

Citations

10 review citations

Structure and Molecular Mechanism of ER Stress Signaling by the Unfolded Protein Response Signal Activator IRE1.
Adams et al. (2019)
9 more

7 mentions without citation

Evolution and function of the epithelial cell-specific ER stress sensor IRE1β.
Cloots et al. (2021)
6 more