6I5K
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h)
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 | Dual specificity protein kinase CLK1 | polymer | 339 | 39581.5 | 3 | UniProt (P49759) Pfam (PF00069) In PDB | Homo sapiens (Human) | CDC-like kinase 1 |
| 2 | A, B, C | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 3 | A, B, C | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine | non-polymer | 333.4 | 3 | Chemie (H3H) | |||
| 4 | C | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 5 | water | water | 18.0 | 222 | Chemie (HOH) |
Sequence modifications
A, B, C: 148 - 484 (UniProt: P49759)
| PDB | External Database | Details |
|---|---|---|
| Ser -1 | - | expression tag |
| Met 0 | - | expression tag |
| Ala 432 | Arg 432 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 118744.5 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1739.8 | |
| All* | Total formula weight | 120484.3 |
