2XYJ
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | polymer | 288 | 32996.2 | 2 | UniProt (Q03181) Pfam (PF00104) | HOMO SAPIENS (HUMAN) | PPAR-DELTA, NUCI, NUCLEAR HORMONE RECEPTOR 1, NUC1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP C MEMBER 2, PEROXISOME PROLIFERATOR- ACTIVATED RECEPTOR BETA, PPAR-BETA, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR |
| 2 | C, D, F, G (A, B) | 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE | non-polymer | 495.0 | 4 | Chemie (WLM) | |||
| 3 | E (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 104 | Chemie (HOH) |
Sequence modifications
A, B: 165 - 441 (UniProt: Q03181)
| PDB | External Database | Details |
|---|---|---|
| Met 154 | - | expression tag |
| Lys 155 | - | expression tag |
| Lys 156 | - | expression tag |
| Gly 157 | - | expression tag |
| His 158 | - | expression tag |
| His 159 | - | expression tag |
| His 160 | - | expression tag |
| His 161 | - | expression tag |
| His 162 | - | expression tag |
| His 163 | - | expression tag |
| Gly 164 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65992.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 2218.3 | |
| All* | Total formula weight | 68210.8 |
