9BYJ
Crystal Structure of Hck in complex with the Src-family kinase inhibitor A-419259
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 HCK | polymer | 454 | 52286.5 | 1 | UniProt (P08631) Pfam (PF00018) Pfam (PF00017) Pfam (PF07714) | Homo sapiens (human) | Hematopoietic cell kinase,Hemopoietic cell kinase,p59-HCK/p60-HCK,p59Hck,p61Hck |
| 2 | B (A) | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | non-polymer | 482.6 | 1 | Chemie (VSE) | |||
| 3 | C, H, I, O, X... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 4 | D, W (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | E, F, G, J, K... (A) | THIOCYANATE ION | non-polymer | 58.1 | 15 | Chemie (SCN) | |||
| 6 | Z (A) | water | water | 18.0 | 219 | Chemie (HOH) |
Sequence modifications
A: 84 - 531 (UniProt: P08631)
| PDB | External Database | Details |
|---|---|---|
| Met 76 | - | expression tag |
| Gly 77 | - | expression tag |
| His 78 | - | expression tag |
| His 79 | - | expression tag |
| His 80 | - | expression tag |
| His 81 | - | expression tag |
| His 82 | - | expression tag |
| His 83 | - | expression tag |
| Glu 528 | Gln 523 | engineered mutation |
| Glu 529 | Gln 524 | engineered mutation |
| Ile 530 | Gln 525 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52286.5 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 1882.5 | |
| All* | Total formula weight | 54169.0 |
