6XDB
Crystal structure of IRE1a in complex with G-6904
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 434 | 49560.5 | 1 | UniProt (O75460) Pfam (PF00069) Pfam (PF06479) In PDB | Homo sapiens (Human) | Endoplasmic reticulum-to-nucleus signaling 1,Inositol-requiring protein 1,hIRE1p,Ire1-alpha,IRE1a |
| 2 | A | 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide | non-polymer | 584.0 | 1 | Chemie (N8S) | |||
| 3 | A | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 4 | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 547 - 977 (UniProt: O75460)
| PDB | External Database | Details |
|---|---|---|
| Asn 688 | Asp 688 | conflict |
| Gly 978 | - | expression tag |
| Asn 979 | - | expression tag |
| Ser 980 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49560.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 822.3 | |
| All* | Total formula weight | 50382.8 |
