2WPA
Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | CELL DIVISION PROTEIN KINASE 2 | polymer | 309 | 35251.9 | 2 | UniProt (P24941) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | P33 PROTEIN KINASE |
2 | B, D | CYCLIN A2 | polymer | 265 | 30279.0 | 2 | UniProt (P20248) Pfam (PF00134) Pfam (PF02984) In PDB | HOMO SAPIENS (HUMAN) | CYCLIN-A |
3 | A, D | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | A, C | N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE | non-polymer | 361.5 | 2 | Chemie (889) | |||
5 | water | water | 18.0 | 225 | Chemie (HOH) |
Sequence modifications
A, C: -4 - 0 (PDB: 2WPA)
A, C: 299 - 304 (PDB: 2WPA)
A, C: 1 - 298 (UniProt: P24941)
B, D: 168 - 172 (PDB: 2WPA)
B, D: 173 - 432 (UniProt: P20248)
A, C: 299 - 304 (PDB: 2WPA)
A, C: 1 - 298 (UniProt: P24941)
B, D: 168 - 172 (PDB: 2WPA)
B, D: 173 - 432 (UniProt: P20248)
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 131061.7 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 915.1 | |
All* | Total formula weight | 131976.8 |