5TML
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
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 | 257 | 29299.5 | 2 | UniProt (P03372) Pfam (PF00104) | Homo sapiens (Human) | ER,ER-alpha,Estradiol receptor,Nuclear receptor subfamily 3 group A member 1 |
| 2 | C, D (C, D) | Nuclear receptor coactivator 2 | polymer | 13 | 1579.9 | 2 | UniProt (Q15596) | Homo sapiens | NCoA-2,Class E basic helix-loop-helix protein 75,bHLHe75,Transcriptional intermediary factor 2,hTIF2 |
| 3 | E, F (A, B) | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid | non-polymer | 567.0 | 2 | Chemie (7E1) | |||
| 4 | G, H, I (A, B, D) | water | water | 18.0 | 69 | Chemie (HOH) |
Sequence modifications
A, B: 298 - 554 (UniProt: P03372)
| PDB | External Database | Details |
|---|---|---|
| Ser 537 | Tyr 364 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 61758.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1134.1 | |
| All* | Total formula weight | 62892.9 |
