6URC
Crystal structure of IRE1a in complex with compound 18
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 434 | 49561.5 | 2 | 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, B | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide | non-polymer | 601.1 | 2 | Chemie (QFV) | |||
| 3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | water | water | 18.0 | 589 | 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 | 99123.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1294.3 | |
| All* | Total formula weight | 100417.3 |
