7JTW
Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | RAR-related orphan receptor C isoform a variant | polymer | 270 | 31202.0 | 1 | UniProt (Q53FZ4) Pfam (PF00104) UniProt (by SIFTS) (P51449) | Homo sapiens (Human) | RORgt, RORc |
| 2 | B (A) | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid | non-polymer | 575.5 | 1 | Chemie (VK4) | |||
| 3 | C, D, E (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | F (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | G (A) | water | water | 18.0 | 113 | Chemie (HOH) |
Sequence modifications
A: 259 - 508 (UniProt: Q53FZ4)
| PDB | External Database | Details |
|---|---|---|
| Gly 255 | - | expression tag |
| Ser 256 | - | expression tag |
| His 257 | - | expression tag |
| Met 258 | - | expression tag |
| Met 483 | Leu 483 | conflict |
| Gly 509 | - | expression tag |
| Gly 510 | - | expression tag |
| Ser 511 | - | expression tag |
| Gly 512 | - | expression tag |
| Asp 513 | - | expression tag |
| His 514 | - | expression tag |
| Lys 515 | - | expression tag |
| Ile 516 | - | expression tag |
| Ile 517 | - | expression tag |
| His 518 | - | expression tag |
| Arg 519 | - | expression tag |
| Leu 520 | - | expression tag |
| Leu 521 | - | expression tag |
| Gln 522 | - | expression tag |
| Glu 523 | - | expression tag |
| Gly 524 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31202.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 947.9 | |
| All* | Total formula weight | 32149.9 |
