Table 2.
The residues involved in forming the binding pocket of PPARα and PPARγ for the ligand Comp#1a
| PPARα (1k7l) | PPARγ (1k74) | ||||
|---|---|---|---|---|---|
| Leu-254 | Glu-269 | Ile-272 | Pro-269 | Ala-278 | Arg-280 |
| Phe-273 | Cys-275 | Cys-276 | Ile-281 | Phe-282 | Gly-284 |
| Gln-277 | Cys278 | Thr-279 | Cys-285 | Gln-286 | Phe-287 |
| *Ser-280 | *Tyr-314 | Ile-317 | Arg-288 | *Ser-289 | *His-323 |
| Phe-318 | Leu-321 | Val-324 | Ile-326 | Tyr-327 | Leu-330 |
| Met-330 | Leu-331 | Val-332 | Leu-333 | Val-339 | Leu-340 |
| *Ala-333 | Tyr-334 | Leu-344 | Ile-341 | Ser-342 | Met348 |
| Leu-347 | Phe-351 | Ile-354 | Leu-353 | Phe-360 | Phe-363 |
| Met-355 | Lys-358 | *His-440 | Met-364 | *His-449 | Leu-453 |
| Val-444 | Ile-447 | Leu-456 | Leu-465 | Leu-469 | *Tyr-473 |
| Leu-460 | *Tyr-464 | ||||
Notes:
a
See the text or the study by Chakrabarti et al83 for the definition of binding pockets used in this study. Those residues marked with an asterisk are the key residues for forming the H-bonding network, as shown in Figure 1.
Abbreviations: PPARα, peroxisome proliferator-activated receptor-alpha; PPARγ, peroxisome proliferator-activated receptor-gamma.