9H66
Steroidal Selective Modulators of FXR with Therapeutic Potential
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Bile acid receptor | polymer | 233 | 27100.2 | 4 | UniProt (Q96RI1) Pfam (PF00104) | 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 | E, F, G, H, I... (E, F, G, H, I...) | Nuclear receptor coactivator 2 | polymer | 13 | 1593.8 | 6 | UniProt (Q15596) | Homo sapiens | NCoA-2,Class E basic helix-loop-helix protein 75,bHLHe75,Transcriptional intermediary factor 2,hTIF2 |
| 3 | K, L, M, N (A, B, C, D) | (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide | non-polymer | 661.8 | 4 | Chemie (R3U) | |||
| 4 | O, P, Q, R, S... (A, B, C, D, F...) | water | water | 18.0 | 73 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 244 - 472 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Gly 240 | - | expression tag |
| Ser 241 | - | expression tag |
| His 242 | - | expression tag |
| Met 243 | - | expression tag |
| Ala 277 | Glu 291 | engineered mutation |
| Ala 350 | Glu 364 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 10 |
| Total formula weight | 117963.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2647.2 | |
| All* | Total formula weight | 120611.0 |
