9EPU
Crystal structure of the human CDKL5 kinase domain with compound CAF-382
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 (A) | Cyclin-dependent kinase-like 5 | polymer | 304 | 35231.7 | 1 | UniProt (O76039) Pfam (PF00069) | Homo sapiens (human) | Serine/threonine-protein kinase 9 |
| 2 | B (A) | ~{N}-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide | non-polymer | 366.5 | 1 | Chemie (A1H6P) PubChem (168510421) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 5 | F (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) PubChem (8117) | |||
| 6 | G (A) | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A: 1 - 303 (UniProt: O76039)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| Asp 169 | Thr 169 | conflict |
| Glu 171 | Tyr 171 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35231.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 756.8 | |
| All* | Total formula weight | 35988.6 |
