4CFM
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 (A, C) | CYCLIN-DEPENDENT KINASE 2 | polymer | 303 | 34467.9 | 2 | UniProt (P24941) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | CELL DIVISION PROTEIN KINASE 2, P33 PROTEIN KINASE |
| 2 | B, D (B, D) | CYCLIN-A2 | polymer | 258 | 29624.3 | 2 | UniProt (P20248) Pfam (PF00134) Pfam (PF02984) | HOMO SAPIENS (HUMAN) | CYCLIN-A |
| 3 | E, F (A, C) | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine | non-polymer | 337.4 | 2 | Chemie (4QE) | |||
| 4 | G, H (A, C) | water | water | 18.0 | 10 | 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 | 128184.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 674.8 | |
| All* | Total formula weight | 128859.3 |
