5C4O
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-indazol-3-yl}benzoic acid | non-polymer | 444.8 | 1 | Chemie (4F1) | |||
| 3 | C, D, E, F (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | G (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | H (A) | water | water | 18.0 | 14 | 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 | 6 |
| Total formula weight | 909.2 | |
| All* | Total formula weight | 29093.9 |
