› 3p23

X-ray diffraction
2.7Å resolution

Crystal structure of the Human kinase and RNase domains in complex with ADP

Released:
DOI: 10.2210/pdb3p23/pdb
PDB entry 3p23 coloured by chain, front view.
PDB entry 3p23 coloured by chain, side view.
PDB entry 3p23 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of the Ire1 autophosphorylation complex and implications for the unfolded protein response.
Ali MM, Bagratuni T, Davenport EL, Nowak PR, Silva-Santisteban MC, Hardcastle A, McAndrews C, Rowlands MG, Morgan GJ, Aherne W, Collins I, Davies FE, Pearl LH
EMBO J 30 894-905 (2011)
PMID: 21317875

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

Assemblies composition:
homo dimer
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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 432 amino acids
Theoretical weight: 49.45 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75460 (Residues: 547-977; Coverage: 45%)
Gene names: ERN1, IRE1
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand ADP 4 x ADP
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 109.85Å b: 83.2Å c: 116.08Å
α: 90° β: 94.79° γ: 90°
R-values:
R R work R free
0.238 0.236 0.294
Expression system: Spodoptera frugiperda

Quick links

Citations

63 review citations

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

43 mentions without citation

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