5M96
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Nuclear receptor ROR-gamma | polymer | 230 | 26803.9 | 2 | UniProt (P51449) Pfam (PF00104) In PDB | 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 | A, B | ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide | non-polymer | 475.6 | 4 | Chemie (Q6Y) | |||
| 3 | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence modifications
A, B: 263 - 491 (UniProt: P51449)
| PDB | External Database | Details |
|---|---|---|
| Gly 262 | - | expression tag |
| Ser 455 | Cys 455 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 53607.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1902.3 | |
| All* | Total formula weight | 55510.2 |
