4AGW
Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases
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) | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | polymer | 286 | 32726.6 | 2 | UniProt (P00523) Pfam (PF07714) | GALLUS GALLUS | SRC KINASE, PROTO-ONCOGENE C-SRC, PP60C-SRC, P60-SRC |
| 2 | C, F (A, B) | 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide | non-polymer | 608.7 | 2 | Chemie (NG7) | |||
| 3 | D, G (A, B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 4 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 152 | Chemie (HOH) |
Sequence modifications
A, B: 251 - 533 (UniProt: P00523)
| PDB | External Database | Details |
|---|---|---|
| Gly 248 | - | expression tag |
| His 249 | - | expression tag |
| Met 250 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65453.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1699.9 | |
| All* | Total formula weight | 67153.2 |
