4FHH
Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Vitamin D3 receptor A | polymer | 300 | 33916.5 | 1 | UniProt (Q9PTN2) Pfam (PF00104) | Danio rerio (leopard danio zebra danio zebra fish) | VDR-A, 1,25-dihydroxyvitamin D3 receptor A, Nuclear receptor subfamily 1 group I member 1-A |
| 2 | B (B) | Nuclear receptor coactivator 2 | polymer | 13 | 1579.9 | 1 | UniProt (Q15596) | Homo sapiens | NCoA-2, Class E basic helix-loop-helix protein 75, bHLHe75, Transcriptional intermediary factor 2, hTIF2 |
| 3 | C (A) | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide | non-polymer | 457.6 | 1 | Chemie (0U3) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 101 | Chemie (HOH) |
Sequence modifications
A: 156 - 453 (UniProt: Q9PTN2)
| PDB | External Database | Details |
|---|---|---|
| His 154 | - | expression tag |
| Met 155 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35496.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 457.6 | |
| All* | Total formula weight | 35954.0 |
