9HY9
Crystal structure of an allosteric inhibitor bound to human RIPK1 kinase domain
This is a non-PDB format compatible entry.
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) | Receptor-interacting serine/threonine-protein kinase 1 | polymer | 297 | 33669.9 | 2 | UniProt (Q13546) Pfam (PF07714) | Homo sapiens (human) | Cell death protein RIP,Receptor-interacting protein 1,RIP-1 |
| 2 | C, I (A, B) | ~{N}-[(1~{S})-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-4-fluoranyl-1-[2-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]carbonyl-piperidine-4-carboxamide | non-polymer | 504.9 | 2 | Chemie (A1IX9) | |||
| 3 | D, E, F, G, J... (A, B) | IODIDE ION | non-polymer | 126.9 | 9 | Chemie (IOD) | |||
| 4 | H (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | O, P (A, B) | water | water | 18.0 | 76 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 294 (UniProt: Q13546)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ala 34 | Cys 34 | engineered mutation |
| Ala 127 | Cys 127 | engineered mutation |
| Ala 233 | Cys 233 | engineered mutation |
| Ala 240 | Cys 240 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67339.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2258.1 | |
| All* | Total formula weight | 69597.9 |
