2BR1
Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity
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 KINASE |
| 2 | B (A) | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL | non-polymer | 391.4 | 1 | Chemie (PFP) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 302 | Chemie (HOH) |
Sequence modifications
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34148.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 583.5 | |
| All* | Total formula weight | 34731.7 |
