6BN6
IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC 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 | 265 | 30711.5 | 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 | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide | non-polymer | 604.6 | 2 | Chemie (XGH) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
4 | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A, B: 265 - 508 (UniProt: P51449)
PDB | External Database | Details |
---|---|---|
Met 244 | - | initiating methionine |
Gly 245 | - | expression tag |
Ser 246 | - | expression tag |
Ser 247 | - | expression tag |
His 248 | - | expression tag |
His 249 | - | expression tag |
His 250 | - | expression tag |
His 251 | - | expression tag |
His 252 | - | expression tag |
His 253 | - | expression tag |
Ser 254 | - | expression tag |
Ser 255 | - | expression tag |
Gly 256 | - | expression tag |
Leu 257 | - | expression tag |
Val 258 | - | expression tag |
Pro 259 | - | expression tag |
Arg 260 | - | expression tag |
Gly 261 | - | expression tag |
Ser 262 | - | expression tag |
His 263 | - | expression tag |
Met 264 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 61422.9 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1497.3 | |
All* | Total formula weight | 62920.2 |