4TW9
Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation
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) | Casein kinase I isoform delta | polymer | 295 | 34310.6 | 2 | UniProt (P48730) Pfam (PF00069) | Homo sapiens (Human) | CKId,Tau-protein kinase CSNK1D, Casein Kinase 1 delta |
| 2 | C, D, E, F, N... (A, B) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 3 | G, M (A) | octyl beta-L-talopyranoside | non-polymer | 292.4 | 2 | Chemie (HSJ) | |||
| 4 | H, I (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | J, K, R, S (A, B) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 6 | L, T (A, B) | N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide | non-polymer | 527.4 | 2 | Chemie (386) | |||
| 7 | U, V (A, B) | water | water | 18.0 | 235 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 295 (UniProt: P48730)
| PDB | External Database | Details |
|---|---|---|
| Asn 13 | Arg 13 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68621.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2570.9 | |
| All* | Total formula weight | 71192.1 |
