6C4D
Structure based design of RIP1 kinase inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Receptor-interacting serine/threonine-protein kinase 1 | polymer | 297 | 33595.8 | 4 | UniProt (Q13546) Pfam (PF07714) In PDB | Homo sapiens (Human) | Cell death protein RIP,Receptor-interacting protein 1,RIP-1,Serine/threonine-protein kinase RIP |
| 2 | A, B, C, D | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile | non-polymer | 461.9 | 4 | Chemie (EJP) | |||
| 3 | water | water | 18.0 | 46 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 294 (UniProt: Q13546)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Ala 34 | Cys 34 | conflict |
| Ala 127 | Cys 127 | conflict |
| Ala 233 | Cys 233 | conflict |
| Ala 240 | Cys 240 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 134383.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1847.6 | |
| All* | Total formula weight | 136230.6 |
