5J79
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex
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 2 | polymer | 326 | 37606.0 | 2 | UniProt (O43353) Pfam (PF07714) | Homo sapiens (Human) | CARD-containing interleukin-1 beta-converting enzyme-associated kinase,CARD-containing IL-1 beta ICE-kinase,RIP-like-interacting CLARP kinase,Receptor-interacting protein 2,RIP-2,Tyrosine-protein kinase RIPK2 |
| 2 | C, F (A, B) | 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol | non-polymer | 328.4 | 2 | Chemie (6GE) | |||
| 3 | D, E, G, H, I (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | J, K (A, B) | water | water | 18.0 | 312 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 310 (UniProt: O43353)
| PDB | External Database | Details |
|---|---|---|
| Met -15 | - | initiating methionine |
| Asp -14 | - | expression tag |
| Tyr -13 | - | expression tag |
| Lys -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Asp -10 | - | expression tag |
| Asp -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Lys -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75212.0 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1137.1 | |
| All* | Total formula weight | 76349.0 |
