TABLE 2
PXR ligand binding pocket residues contacted by colupulone, hyperforin, and rifampicin
Those not contacting colupulone are in bold.
Ligand | Binding Pocket Contact | |
|---|---|---|
| Colupulone | Met425, Met323, Phe281, Phe288, Trp299, Tyr306, Val211, Leu209, Met243, Ala244, Phe420, Ile414, Leu411, Arg 410, His327 |
| Hyperforin | Met425, Met323, Phe281, Phe288, Trp299, Tyr306, Val211, Leu209, Met243, Ala244, Phe420, Ile414, Leu411, Arg 410, His327, Leu239, Leu240, Leu206, Cys284, Met250, Met246, Phe251, Leu324 |
| Rifampicin | Met425, Met323, Phe281, Phe288, Trp299, Tyr306, Val211, Met243, Ala244, Phe420, Ile414, Leu411, Arg 410, His327, Leu239, Leu240, Cys284, Met250, Met246, Met250, Phe251, Leu324 |