5DLS
Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase Chk1 | polymer | 297 | 34148.1 | 1 | UniProt (O14757) Pfam (PF00069) | Homo sapiens (Human) | CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1 |
| 2 | B (A) | 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide | non-polymer | 538.6 | 1 | Chemie (5CV) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 109 | Chemie (HOH) |
Sequence modifications
A: 1 - 289 (UniProt: O14757)
| PDB | External Database | Details |
|---|---|---|
| His 290 | - | expression tag |
| His 291 | - | expression tag |
| His 292 | - | expression tag |
| His 293 | - | expression tag |
| His 294 | - | expression tag |
| His 295 | - | expression tag |
| His 296 | - | expression tag |
| His 297 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34148.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 634.7 | |
| All* | Total formula weight | 34782.9 |
