5AFV
Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.
Summary for 5AFV
| Entry DOI | 10.2210/pdb5afv/pdb |
| Descriptor | CHOLINE KINASE ALPHA, 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, ... (4 entities in total) |
| Functional Keywords | transferase, virtual screening, pharmacophore |
| Biological source | HOMO SAPIENS (HUMAN) |
| Cellular location | Cytoplasm: P35790 |
| Total number of polymer chains | 2 |
| Total formula weight | 90096.21 |
| Authors | Serran-Aguilera, L.,Nuti, R.,Lopez-Cara, L.C.,Gallo Mezo, M.A.,Macchiarulo, A.,Entrena, A.,Hurtado-Guerrero, R. (deposition date: 2015-01-26, release date: 2015-03-18, Last modification date: 2024-01-10) |
| Primary citation | Serran-Aguilera, L.,Nuti, R.,Lopez-Cara, L.C.,Gallo Mezo, M.A.,Macchiarulo, A.,Entrena, A.,Hurtado-Guerrero, R. Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1 Mol Inform, 34:458-, 2015 Cited by PubMed: 27490389DOI: 10.1002/MINF.201400140 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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