5C4U
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Nuclear receptor ROR-gamma | polymer | 241 | 28184.7 | 1 | UniProt (P51449) Pfam (PF00104) | Homo sapiens (Human) | Nuclear receptor RZR-gamma,Nuclear receptor subfamily 1 group F member 3,RAR-related orphan receptor C,Retinoid-related orphan receptor-gamma |
| 2 | B (A) | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid | non-polymer | 479.8 | 1 | Chemie (4Y7) | |||
| 3 | C, D, E (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | F (A) | water | water | 18.0 | 23 | Chemie (HOH) |
Sequence modifications
A: 267 - 507 (UniProt: P51449)
| PDB | External Database | Details |
|---|---|---|
| His 455 | Cys 455 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28184.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 756.0 | |
| All* | Total formula weight | 28940.7 |
