6XDD
Crystal structure of IRE1 in complex with G-3053
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 434 | 49801.4 | 2 | UniProt (O75460) Pfam (PF00069) Pfam (PF06479) | Homo sapiens (Human) | Endoplasmic reticulum-to-nucleus signaling 1,Inositol-requiring protein 1,hIRE1p,Ire1-alpha,IRE1a |
| 2 | C, D (A, B) | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide | non-polymer | 611.1 | 2 | Chemie (N97) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 99602.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1222.1 | |
| All* | Total formula weight | 100825.0 |
