3OLF
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-methylbenzoic 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-methylbenzoic acid | non-polymer | 538.0 | 2 | Chemie (OLF) | |||
4 | water | water | 18.0 | 193 | 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 | 1076.0 | |
All* | Total formula weight | 58856.4 |