3R02
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 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 | 299 | 34481.1 | 1 | UniProt (P11309) Pfam (PF00069) | Homo sapiens (human) | |
| 2 | B (A) | 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid | non-polymer | 353.2 | 1 | Chemie (UNM) | |||
| 3 | C, D, E (A) | IMIDAZOLE | non-polymer | 69.1 | 3 | Chemie (IMD) | |||
| 4 | F (A) | water | water | 18.0 | 164 | Chemie (HOH) |
Sequence modifications
A: 29 - 313 (UniProt: P11309)
| PDB | External Database | Details |
|---|---|---|
| Met 28 | - | initiating methionine |
| Ala 314 | - | expression tag |
| Ala 315 | - | expression tag |
| Ala 316 | - | expression tag |
| Leu 317 | - | expression tag |
| Glu 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
| His 324 | - | expression tag |
| His 325 | - | expression tag |
| His 326 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34481.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 560.5 | |
| All* | Total formula weight | 35041.6 |
