3OY3
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Tyrosine-protein kinase ABL1 | polymer | 284 | 32809.5 | 2 | UniProt (P00520) Pfam (PF07714) In PDB | Mus musculus (mouse) | Abelson murine leukemia viral oncogene homolog 1, Proto-oncogene c-Abl, p150 |
| 2 | A, B | 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide | non-polymer | 568.6 | 2 | Chemie (XY3) | |||
| 3 | water | water | 18.0 | 391 | Chemie (HOH) |
Sequence modifications
A, B: 229 - 511 (UniProt: P00520)
| PDB | External Database | Details |
|---|---|---|
| Gly 228 | - | expression tag |
| Ile 315 | Thr 315 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65619.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1137.2 | |
| All* | Total formula weight | 66756.2 |
