4U6R: Crystal Structure Of Human Ire1 Cytoplasmic Domains In Complex With A Sulfonamide Inhibitor

PDB ID: 4U6RDownload
MMDB ID: 123697
PDB Deposition Date: 2014/7/29
Updated in MMDB: 2014/10
Experimental Method:
x-ray diffraction
Resolution: 2.5  Å
Source Organism:
Similar Structures:
Biological Unit for 4U6R: monomeric; determined by author and by software (PISA)
Molecular Components in 4U6R
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase/endoribonuclease Ire1
(Gene symbol: ERN1)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
N-{4-[(3-{2-[(Trans-4-Aminocyclohexyl)amino]pyrimidin-4-Yl}pyridin-2-Yl)oxy]-3-Methylnaphthalen-1-Yl}-2-ChlorobenzenesulfonamideN-{4-[(3-{2-[(Trans-4-Aminocyclohexyl)amino]pyrimidin-4-Yl}pyridin-2-Yl)oxy]-3-Methylnaphthalen-1-Yl}-2-Chlorobenzenesulfonamide
2
5
Sulfate IonSulfate Ion
3
1
1,2-Ethanediol1,2-Ethanediol
4
1
4-(2-Hydroxyethyl)-1-Piperazine Ethanesulfonic Acid4-(2-Hydroxyethyl)-1-Piperazine Ethanesulfonic Acid
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303