3OOK
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Bile acid receptor | polymer | 233 | 27100.2 | 2 | UniProt (Q96RI1) Pfam (PF00104) In PDB | Homo sapiens (human) | fxr, 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 | B, D | peptide of Nuclear receptor coactivator 1 | polymer | 14 | 1790.0 | 2 | UniProt (Q15788) In PDB | NCoA-1, Class E basic helix-loop-helix protein 74, bHLHe74, Protein Hin-2, RIP160, Renal carcinoma antigen NY-REN-52, Steroid receptor coactivator 1, SRC-1 | |
| 3 | A, C | 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid | non-polymer | 559.9 | 2 | Chemie (OOK) | |||
| 4 | water | water | 18.0 | 166 | Chemie (HOH) |
Sequence modifications
A, C: 248 - 476 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Gly 244 | - | expression tag |
| Ser 245 | - | expression tag |
| His 246 | - | expression tag |
| Met 247 | - | expression tag |
| Ala 281 | Glu 291 | engineered mutation |
| Ala 354 | Glu 364 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 57780.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1119.9 | |
| All* | Total formula weight | 58900.3 |
