› 6w3k

X-ray diffraction
2.08Å resolution

Structure of unphosphorylated human IRE1 bound to G-9807

Released:
DOI: 10.2210/pdb6w3k/pdb
PDB entry 6w3k coloured by chain, front view.
PDB entry 6w3k coloured by chain, side view.
PDB entry 6w3k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Ferri E, Le Thomas A, Wallweber HA, Day ES, Walters BT, Kaufman SE, Braun MG, Clark KR, Beresini MH, Mortara K, Chen YA, Canter B, Phung W, Liu PS, Lammens A, Ashkenazi A, Rudolph J, Wang W
Nat Commun 11 6387 (2020)
PMID: 33318494

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-130962 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase/endoribonuclease IRE1 Chain: A
Molecule details ›
Chain: A
Length: 434 amino acids
Theoretical weight: 49.56 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75460 (Residues: 547-977; Coverage: 45%)
Gene names: ERN1, IRE1
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand SJS 1 x SJS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 73.513Å b: 112.761Å c: 67.892Å
α: 90° β: 119.58° γ: 90°
R-values:
R R work R free
0.192 0.19 0.217
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

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