Table 1.
All EPR spectra complexes with their corresponding weights and assigned binding modes for CYP3A4 samples. Complexes labeled in blue as “resting state” are resting state enzyme, “DC” are directly-coordinated, “WB” are water-bridged, and “UKN” are unknown complexes where a binding mode could not be assigned.
| Sample Complex | Contribution (%) | Binding Mode |
|---|---|---|
|
| ||
| no drug | 76.3 | resting state |
| 23.7 | resting state | |
|
| ||
| 17-click | 76.3 | WB |
| 23.7 | UKN | |
|
| ||
| 17-EE | 75.1 | WB |
| 24.9 | UKN | |
|
| ||
| 1,2,3-TRZ | 5.8 | UKN |
| 62.8 | DC | |
| 31.4 | DC | |
|
| ||
| 1,2,4-TRZ | 15.3 | UKN |
| 58.4 | DC | |
| 26.3 | DC | |
|
| ||
| IMZ | 78.4 | DC |
| 21.6 | UKN | |
|
| ||
| APAP | 57.9 | WB |
| 42.1 | UKN | |
|
| ||
| APAP and caffeine | 58.3 | WB |
| 41.7 | UKN | |
|
| ||
| caffeine | 67.3 | WB |
| 32.7 | UKN | |