› 4yzc

X-ray diffraction
2.49Å resolution

Crystal structure of pIRE1alpha in complex with staurosporine

Released:
DOI: 10.2210/pdb4yzc/pdb
PDB entry 4yzc coloured by chain, front view.
PDB entry 4yzc coloured by chain, side view.
PDB entry 4yzc 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
Molecule details ›
Chains: A, B
Length: 405 amino acids
Theoretical weight: 46.85 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 STU 2 x STU
1 modified residue:
Ligand SEP 6 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 49.337Å b: 155.26Å c: 155.643Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.247 0.289
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

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

8 mentions without citation

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