3QRJ
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
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) | Tyrosine-protein kinase ABL1 | polymer | 277 | 32122.8 | 2 | UniProt (P00519) Pfam (PF07714) | Homo sapiens (human) | Abelson murine leukemia viral oncogene homolog 1, Proto-oncogene c-Abl, p150 |
| 2 | C, D (A, B) | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide | non-polymer | 553.6 | 2 | Chemie (919) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence modifications
A, B: 229 - 499 (UniProt: P00519)
| PDB | External Database | Details |
|---|---|---|
| Thr 223 | - | expression tag |
| Ser 224 | - | expression tag |
| Met 225 | - | expression tag |
| Asp 226 | - | expression tag |
| Pro 227 | - | expression tag |
| Ser 228 | - | expression tag |
| Ile 315 | Thr 315 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64245.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1107.2 | |
| All* | Total formula weight | 65352.8 |
