4CFX
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | CYCLIN-DEPENDENT KINASE 2 | polymer | 303 | 34467.9 | 2 | UniProt (P24941) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | CELL DIVISION PROTEIN KINASE 2, P33 PROTEIN KINASE |
| 2 | B, D | CYCLIN-A2 | polymer | 260 | 29867.5 | 2 | UniProt (P20248) Pfam (PF00134) Pfam (PF02984) In PDB | HOMO SAPIENS (HUMAN) | CYCLIN-A |
| 3 | A, C | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide | non-polymer | 402.5 | 2 | Chemie (G6T) | |||
| 4 | water | water | 18.0 | 88 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 298 (UniProt: P24941)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 128670.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 804.9 | |
| All* | Total formula weight | 129475.8 |
