3KF4
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) | N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine | non-polymer | 443.4 | 2 | Chemie (B90) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 345 | 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 | 886.9 | |
| All* | Total formula weight | 67370.8 |
