4OIV
Structural basis for small molecule NDB as a selective antagonist of FXR
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 | 226 | 26512.4 | 2 | UniProt (Q96RI1) Pfam (PF00104) | Homo sapiens (human) | FXR-LBD, 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 (A, B) | N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide | non-polymer | 471.4 | 2 | Chemie (XX9) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 248 - 473 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Glu 436 | Cys 446 | engineered mutation |
| Glu 470 | Cys 480 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 53024.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 942.8 | |
| All* | Total formula weight | 53967.6 |
