5AFV
Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | CHOLINE KINASE ALPHA | polymer | 378 | 44463.9 | 2 | UniProt (P35790) Pfam (PF01633) In PDB | HOMO SAPIENS (HUMAN) | CK, CHETK-ALPHA, ETHANOLAMINE KINASE, EK |
| 2 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 3 | A, B | 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium | non-polymer | 265.3 | 3 | Chemie (JH5) | |||
| 4 | water | water | 18.0 | 269 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 88927.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1168.4 | |
| All* | Total formula weight | 90096.2 |
