8DUK
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Estrogen receptor | polymer | 255 | 29033.0 | 4 | UniProt (P03372) Pfam (PF00104) | Homo sapiens (human) | ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1 |
| 2 | E, F, G, H (A, B, C, D) | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | non-polymer | 428.5 | 4 | Chemie (TW6) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 656 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 301 - 554 (UniProt: P03372)
| PDB | External Database | Details |
|---|---|---|
| Met 300 | - | initiating methionine |
| Ser 381 | Cys 381 | engineered mutation |
| Ser 417 | Cys 417 | engineered mutation |
| Ser 530 | Cys 530 | engineered mutation |
| Ser 536 | Leu 536 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 116132.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1714.1 | |
| All* | Total formula weight | 117846.2 |
