5MO4
ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase ABL1 | polymer | 495 | 56183.2 | 1 | UniProt (P00519) Pfam (PF00018) Pfam (PF00017) Pfam (PF07714) | Homo sapiens (Human) | Abelson murine leukemia viral oncogene homolog 1,Abelson tyrosine-protein kinase 1,Proto-oncogene c-Abl,p150 |
| 2 | B (A) | Nilotinib | non-polymer | 529.5 | 1 | Chemie (NIL) | |||
| 3 | C (A) | asciminib | non-polymer | 449.8 | 1 | Chemie (AY7) | |||
| 4 | D (A) | water | water | 18.0 | 307 | Chemie (HOH) |
Sequence modifications
A: 46 - 534 (UniProt: P00519)
| PDB | External Database | Details |
|---|---|---|
| Gly 40 | - | expression tag |
| Ala 41 | - | expression tag |
| Met 42 | - | expression tag |
| Asp 43 | - | expression tag |
| Pro 44 | - | expression tag |
| Ser 45 | - | expression tag |
| Ile 334 | Thr 315 | conflict |
| Asn 382 | Asp 363 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 56183.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 979.4 | |
| All* | Total formula weight | 57162.5 |
