9D5F
Crystal structure of the ILK/alpha-parvin core complex bound to bosutinib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Integrin-linked protein kinase | polymer | 271 | 30972.0 | 1 | UniProt (Q13418) Pfam (PF07714) | Homo sapiens (human) | 59 kDa serine/threonine-protein kinase,Beta-integrin-linked kinase,ILK-1,ILK-2,p59ILK |
| 2 | B (B) | Alpha-parvin | polymer | 129 | 14843.1 | 1 | UniProt (Q9NVD7) Pfam (PF00307) | Homo sapiens (human) | Actopaxin,CH-ILKBP,Calponin-like integrin-linked kinase-binding protein,Matrix-remodeling-associated protein 2 |
| 3 | C (A) | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | non-polymer | 530.4 | 1 | Chemie (DB8) | |||
| 4 | D (B) | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 282.3 | 1 | Chemie (B3P) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 337 | Chemie (HOH) |
Sequence modifications
A: 183 - 452 (UniProt: Q13418)
B: 248 - 372 (UniProt: Q9NVD7)
| PDB | External Database | Details |
|---|---|---|
| Met 182 | - | initiating methionine |
| Ser 346 | Cys 346 | engineered mutation |
| Ser 422 | Cys 422 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 244 | - | expression tag |
| Ser 245 | - | expression tag |
| His 246 | - | expression tag |
| Met 247 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 45815.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 812.8 | |
| All* | Total formula weight | 46627.9 |
