9H65
Steroidal Selective Modulators of FXR with Therapeutic Potential
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) | Bile acid receptor | polymer | 233 | 27100.2 | 2 | UniProt (Q96RI1) Pfam (PF00104) | Homo sapiens (human) | Farnesoid X-activated receptor,Farnesol receptor HRR-1,Nuclear receptor subfamily 1 group H member 4,Retinoid X receptor-interacting protein 14,RXR-interacting protein 14 |
| 2 | C, D (C, D) | Nuclear receptor coactivator 2 | polymer | 13 | 1593.8 | 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) | 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea | non-polymer | 592.8 | 2 | Chemie (RJC) | |||
| 4 | G, H, I (A, B, C) | water | water | 18.0 | 18 | Chemie (HOH) |
Sequence modifications
A, B: 244 - 472 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Gly 240 | - | expression tag |
| Ser 241 | - | expression tag |
| His 242 | - | expression tag |
| Met 243 | - | expression tag |
| Ala 277 | Glu 291 | engineered mutation |
| Ala 350 | Glu 364 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 57388.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1185.6 | |
| All* | Total formula weight | 58573.7 |
