7XQE
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
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 | 267 | 31128.9 | 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 | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide | non-polymer | 546.5 | 2 | Chemie (H4I) | |||
3 | A, B | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
4 | A | ETHANOL | non-polymer | 46.1 | 1 | Chemie (EOH) | |||
5 | water | water | 18.0 | 13 | Chemie (HOH) |
Sequence modifications
A, B: 262 - 507 (UniProt: P51449)
PDB | External Database | Details |
---|---|---|
Glu 241 | - | expression tag |
Gly 242 | - | expression tag |
Asp 243 | - | expression tag |
Ile 244 | - | expression tag |
His 245 | - | expression tag |
Met 246 | - | expression tag |
Lys 247 | - | expression tag |
Lys 248 | - | expression tag |
Gly 249 | - | expression tag |
Tyr 250 | - | expression tag |
His 251 | - | expression tag |
His 252 | - | expression tag |
His 253 | - | expression tag |
His 254 | - | expression tag |
His 255 | - | expression tag |
Leu 256 | - | expression tag |
Val 257 | - | expression tag |
Pro 258 | - | expression tag |
Arg 259 | - | expression tag |
Gly 260 | - | expression tag |
Ser 261 | - | expression tag |
Glu 455 | Cys 455 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 62257.9 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1415.4 | |
All* | Total formula weight | 63673.3 |