4YMQ
X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Nuclear receptor ROR-gamma | polymer | 280 | 32442.4 | 1 | 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 | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | A | 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide | non-polymer | 597.6 | 1 | Chemie (ZBD) | |||
5 | water | water | 18.0 | 111 | Chemie (HOH) |
Sequence modifications
A: 260 - 507 (UniProt: P51449)
PDB | External Database | Details |
---|---|---|
Met 244 | - | expression tag |
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 |
Leu 254 | - | expression tag |
Val 255 | - | expression tag |
Pro 256 | - | expression tag |
Arg 257 | - | expression tag |
Gly 258 | - | expression tag |
Ser 259 | - | expression tag |
Gly 508 | - | expression tag |
Gly 509 | - | expression tag |
Gly 510 | - | expression tag |
Glu 511 | - | expression tag |
Lys 512 | - | expression tag |
His 513 | - | expression tag |
Lys 514 | - | expression tag |
Ile 515 | - | expression tag |
Leu 516 | - | expression tag |
His 517 | - | expression tag |
Arg 518 | - | expression tag |
Leu 519 | - | expression tag |
Leu 520 | - | expression tag |
Gln 521 | - | expression tag |
Asp 522 | - | expression tag |
Ser 523 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 32442.4 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 712.7 | |
All* | Total formula weight | 33155.1 |