5H0E
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-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 (A) | Tyrosine-protein kinase HCK | polymer | 454 | 52000.2 | 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) | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide | non-polymer | 512.6 | 1 | Chemie (OOS) | |||
| 3 | C (A) | water | water | 18.0 | 196 | Chemie (HOH) |
Sequence modifications
A: 86 - 531 (UniProt: P08631)
| PDB | External Database | Details |
|---|---|---|
| Gly 78 | - | expression tag |
| Ala 79 | - | expression tag |
| Met 80 | - | expression tag |
| Gly 81 | - | expression tag |
| Ser 82 | - | expression tag |
| Gly 83 | - | expression tag |
| Ile 84 | - | expression tag |
| Arg 85 | - | linker |
| 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 | 52000.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 512.6 | |
| All* | Total formula weight | 52512.9 |
