› 5hgi

X-ray diffraction
2.58Å resolution

Crystal structure of apo human IRE1 alpha

Released:
DOI: 10.2210/pdb5hgi/pdb
PDB entry 5hgi coloured by chain, front view.
PDB entry 5hgi coloured by chain, side view.
PDB entry 5hgi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and Functional Analysis of the Allosteric Inhibition of IRE1α with ATP-Competitive Ligands.
Feldman HC, Tong M, Wang L, Meza-Acevedo R, Gobillot TA, Lebedev I, Gliedt MJ, Hari SB, Mitra AK, Backes BJ, Papa FR, Seeliger MA, Maly DJ
ACS Chem Biol 11 2195-205 (2016)
PMID: 27227314

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: 431 amino acids
Theoretical weight: 49.3 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

6 bound ligands:
Ligand CS 5 x CS
Ligand NA 1 x NA
Ligand GOL 1 x GOL
Ligand DTT 1 x DTT
Ligand BME 4 x BME
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: C2221
Unit cell:
a: 68.039Å b: 169.196Å c: 104.138Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.213 0.248
Expression system: Spodoptera frugiperda

Quick links

Citations

15 review citations

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

7 mentions without citation

Endoplasmic reticulum stress signalling - from basic mechanisms to clinical applications.
Almanza et al. (2019)
6 more