3JXW
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Proto-oncogene serine/threonine-protein kinase Pim-1 | polymer | 294 | 33963.5 | 1 | UniProt (P11309) Pfam (PF00069) | Homo sapiens (human) | |
| 2 | B (A) | 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one | non-polymer | 325.4 | 1 | Chemie (LXG) |
Sequence modifications
A: 29 - 313 (UniProt: P11309)
| PDB | External Database | Details |
|---|---|---|
| Met 28 | - | initiating methionine |
| Val 314 | - | expression tag |
| Asp 315 | - | expression tag |
| His 316 | - | expression tag |
| His 317 | - | expression tag |
| His 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33963.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 325.4 | |
| All* | Total formula weight | 34288.9 |
