› 4yz9

X-ray diffraction
2.46Å resolution

Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor (GSK2850163A)

Released:
DOI: 10.2210/pdb4yz9/pdb
PDB entry 4yz9 coloured by chain, front view.
PDB entry 4yz9 coloured by chain, side view.
PDB entry 4yz9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1α Endoribonuclease Activity.
Concha NO, Smallwood A, Bonnette W, Totoritis R, Zhang G, Federowicz K, Yang J, Qi H, Chen S, Campobasso N, Choudhry AE, Shuster LE, Evans KA, Ralph J, Sweitzer S, Heerding DA, Buser CA, Su DS, DeYoung MP
Mol Pharmacol 88 1011-23 (2015)
PMID: 26438213

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, C
Molecule details ›
Chains: A, B, C
Length: 405 amino acids
Theoretical weight: 46.61 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75460 (Residues: 562-966; Coverage: 42%)
Gene names: ERN1, IRE1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 4K7 3 x 4K7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21212
Unit cell:
a: 244.004Å b: 77.767Å c: 88.313Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.235 0.283
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Pharmacological targeting of endoplasmic reticulum stress in disease.
Marciniak et al. (2022)
6 more

6 mentions without citation

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