7B39
Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist
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 | 302 | 34060.7 | 1 | UniProt (Q9PTN2) Pfam (PF00104) | Danio rerio (Zebrafish) | VDR-A,1,25-dihydroxyvitamin D3 receptor A,Nuclear receptor subfamily 1 group I member 1-A |
| 2 | B (B) | Nuclear receptor coactivator 1 | polymer | 15 | 1776.1 | 1 | UniProt (Q15788) | Homo sapiens | NCoA-1,Class E basic helix-loop-helix protein 74,bHLHe74,Protein Hin-2,RIP160,Renal carcinoma antigen NY-REN-52,Steroid receptor coactivator 1,SRC-1 |
| 3 | C (A) | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol | non-polymer | 412.6 | 1 | Chemie (T0H) | |||
| 4 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 70 | Chemie (HOH) |
Sequence modifications
A: 156 - 453 (UniProt: Q9PTN2)
| PDB | External Database | Details |
|---|---|---|
| Gly 152 | - | expression tag |
| Ser 153 | - | expression tag |
| His 154 | - | expression tag |
| Met 155 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35836.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 471.6 | |
| All* | Total formula weight | 36308.4 |
