3KFA
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
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 | 288 | 33242.0 | 2 | UniProt (P00520) Pfam (PF07714) | Mus musculus (mouse) | Abelson murine leukemia viral oncogene homolog 1, Proto-oncogene c-Abl, p150 |
| 2 | C, D (A, B) | 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide | non-polymer | 558.6 | 2 | Chemie (B91) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 800 | Chemie (HOH) |
Sequence modifications
A, B: 229 - 515 (UniProt: P00520)
| PDB | External Database | Details |
|---|---|---|
| Gly 228 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66483.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1117.1 | |
| All* | Total formula weight | 67601.0 |
