3OKH
Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Bile acid receptor | polymer | 233 | 27100.2 | 1 | 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 | peptide of Nuclear receptor coactivator 1 | polymer | 14 | 1790.0 | 1 | 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 | 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid | non-polymer | 494.0 | 2 | Chemie (OKH) | |||
| 4 | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A: 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 | 2 |
| Total formula weight | 28890.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 988.0 | |
| All* | Total formula weight | 29878.3 |
