5HU9
Crystal structure of ABL1 in complex with CHMFL-074
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Tyrosine-protein kinase ABL1 | polymer | 277 | 31982.6 | 1 | UniProt (P00519) Pfam (PF07714) In PDB | Homo sapiens (Human) | Abelson murine leukemia viral oncogene homolog 1,Abelson tyrosine-protein kinase 1,Proto-oncogene c-Abl,p150 |
| 2 | A | 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide | non-polymer | 595.7 | 2 | Chemie (66K) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | water | water | 18.0 | 365 | Chemie (HOH) |
Sequence modifications
A: 229 - 500 (UniProt: P00519)
| PDB | External Database | Details |
|---|---|---|
| Gly 224 | - | expression tag |
| Ala 225 | - | expression tag |
| Met 226 | - | expression tag |
| Gly 227 | - | expression tag |
| Ser 228 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31982.6 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1971.6 | |
| All* | Total formula weight | 33954.2 |
