2POG
Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Estrogen receptor | polymer | 248 | 28297.2 | 2 | UniProt (P03372) Pfam (PF00104) | Homo sapiens (human) | ER, Estradiol receptor, ER-alpha |
| 2 | C, D (A, B) | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL | non-polymer | 282.3 | 2 | Chemie (WST) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 118 | Chemie (HOH) |
Sequence modifications
A, B: 304 - 551 (UniProt: P03372)
| PDB | External Database | Details |
|---|---|---|
| Ser 381 | Cys 381 | engineered mutation |
| Ser 417 | Cys 417 | engineered mutation |
| Ser 530 | Cys 530 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 56594.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 564.7 | |
| All* | Total formula weight | 57159.0 |
