6W3K
Structure of unphosphorylated human IRE1 bound to G-9807
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 434 | 49561.5 | 1 | UniProt (O75460) Pfam (PF00069) Pfam (PF06479) | Homo sapiens (Human) | Endoplasmic reticulum-to-nucleus signaling 1,Inositol-requiring protein 1,hIRE1p,Ire1-alpha,IRE1a |
| 2 | B (A) | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one | non-polymer | 424.4 | 1 | Chemie (SJS) | |||
| 3 | C (A) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A: 547 - 977 (UniProt: O75460)
| PDB | External Database | Details |
|---|---|---|
| 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 | 49561.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| All* | Total formula weight | 49985.9 |
