7BMK
ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs
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 | 49562.6 | 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, X (A, B) | 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide | non-polymer | 558.6 | 2 | Chemie (U4N) | |||
| 3 | BA, D, E, F, I... (B, A) | GLYCEROL | non-polymer | 92.1 | 10 | Chemie (GOL) | |||
| 4 | EA, G, GA, H, HA... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 19 | Chemie (EDO) | |||
| 5 | AA, CA, FA, W (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 6 | DA (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | MA, NA (A, B) | water | water | 18.0 | 629 | Chemie (HOH) |
Sequence modifications
A, B: 547 - 977 (UniProt: O75460)
| PDB | External Database | Details |
|---|---|---|
| Gly 544 | - | expression tag |
| Ala 545 | - | expression tag |
| Met 546 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 99125.2 | |
| Non-Polymers* | Number of molecules | 36 |
| Total formula weight | 3792.0 | |
| All* | Total formula weight | 102917.2 |
