3DK7
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
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 ABL1 | polymer | 277 | 32012.5 | 2 | UniProt (P00520) Pfam (PF07714) | Mus musculus (mouse) | Abelson murine leukemia viral oncogene homolog 1, c-ABL, p150 |
| 2 | C, F (A, B) | 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide | non-polymer | 374.4 | 2 | Chemie (SX7) | |||
| 3 | D, E (B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 283 | Chemie (HOH) |
Sequence modifications
A, B: 233 - 505 (UniProt: P00520)
| PDB | External Database | Details |
|---|---|---|
| Gly 230 | - | expression tag |
| Ser 231 | - | expression tag |
| Leu 232 | - | expression tag |
| Ile 315 | Thr 315 | engineered mutation |
| Pro 445 | Leu 445 | engineered mutation |
| Gly 506 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64025.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 941.0 | |
| All* | Total formula weight | 64966.0 |
