8CIE
Crystal structure of the human CDKL5 kinase domain with compound YL-354
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Cyclin-dependent kinase-like 5 | polymer | 304 | 35231.7 | 1 | UniProt (O76039) Pfam (PF00069) In PDB | Homo sapiens (human) | Serine/threonine-protein kinase 9 |
| 2 | A | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide | non-polymer | 349.3 | 1 | Chemie (US0) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 37 | 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 | 2 |
| Total formula weight | 445.4 | |
| All* | Total formula weight | 35677.1 |
