9VBQ
Crystal structure of FXR in complex with agonist XJ02862-S2
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bile acid receptor | polymer | 240 | 27949.1 | 1 | UniProt (Q96RI1) | Homo sapiens (human) | 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 (B) | Nuclear receptor coactivator 1 | polymer | 14 | 1790.0 | 1 | UniProt (Q15788) | Homo sapiens (human) | 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 | C (A) | (3~{a}~{R},7~{a}~{S})-2-[(2~{R})-1-[(2~{R},4~{R})-2-methyl-4-phenylazanyl-3,4-dihydro-2~{H}-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione | non-polymer | 445.6 | 1 | Chemie (A1ERH) | |||
| 4 | D, E, F (A, B) | FORMIC ACID | non-polymer | 46.0 | 3 | Chemie (FMT) PubChem (284) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 32 | Chemie (HOH) |
Sequence modifications
A: 257 - 486 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Met 247 | - | initiating methionine |
| Gly 248 | - | expression tag |
| His 249 | - | expression tag |
| His 250 | - | expression tag |
| His 251 | - | expression tag |
| His 252 | - | expression tag |
| His 253 | - | expression tag |
| His 254 | - | expression tag |
| Gly 255 | - | expression tag |
| Ser 256 | - | expression tag |
| Ala 291 | Glu 291 | conflict |
| Ala 364 | Glu 364 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 29739.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 583.6 | |
| All* | Total formula weight | 30322.7 |
