3FXV
Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | NR1H4 protein | polymer | 233 | 27100.2 | 1 | UniProt (A1L4K5) Pfam (PF00104) UniProt (by SIFTS) (Q96RI1) In PDB | Homo sapiens (human) | FXR, Nuclear receptor subfamily 1, group H, member 4, isoform CRA_b |
| 2 | B | 12-meric peptide from Nuclear receptor coactivator 1 | polymer | 13 | 1660.9 | 1 | UniProt (Q15788) In PDB | Homo sapiens | SRC-1, NCoA-1, Steroid receptor coactivator 1, RIP160, Protein Hin-2, Renal carcinoma antigen NY-REN-52 |
| 3 | A | 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid | non-polymer | 550.4 | 1 | Chemie (643) | |||
| 4 | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A: 248 - 475 (UniProt: A1L4K5)
| PDB | External Database | Details |
|---|---|---|
| Gly 244 | - | expression tag |
| Ser 245 | - | expression tag |
| His 246 | - | expression tag |
| Met 247 | - | expression tag |
| Ala 281 | Glu 281 | engineered mutation |
| Ala 354 | Glu 354 | engineered mutation |
| Gln 476 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 28761.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 550.4 | |
| All* | Total formula weight | 29311.5 |
