7RJ8
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | AP2-associated protein kinase 1 | polymer | 318 | 35978.2 | 2 | UniProt (Q3UHJ0) Pfam (PF00069) In PDB | Mus musculus (Mouse) | Adaptor-associated kinase 1 |
| 2 | A | N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide | non-polymer | 339.3 | 1 | Chemie (5QI) | |||
| 3 | A, B | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE | non-polymer | 266.3 | 2 | Chemie (PG6) | |||
| 4 | A, B | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | B | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | non-polymer | 448.6 | 1 | Chemie (YFV) | |||
| 6 | water | water | 18.0 | 283 | Chemie (HOH) |
Sequence modifications
A, B: 26 - 330 (UniProt: Q3UHJ0)
| PDB | External Database | Details |
|---|---|---|
| Met 13 | - | initiating methionine |
| His 14 | - | expression tag |
| His 15 | - | expression tag |
| His 16 | - | expression tag |
| His 17 | - | expression tag |
| His 18 | - | expression tag |
| His 19 | - | expression tag |
| Leu 20 | - | expression tag |
| Val 21 | - | expression tag |
| Pro 22 | - | expression tag |
| Arg 23 | - | expression tag |
| Gly 24 | - | expression tag |
| Ser 25 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71956.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1897.0 | |
| All* | Total formula weight | 73853.4 |
