Table 1.
Parameters (Eq. 11) optimized at room temperature for WT (all unconstrained) and L529I-hERG (Set A) using the Rasmusson kinetic model from Wang et al. (17)
| Transition description | Label | WT |
L529I |
Fitting set |
|||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| α (ms−1) | β (mV−1) | a | b |
A |
B |
C |
|||||
| α | β | α | β | α | β | ||||||
| C3 → C2 | ae | 0.0867 | 0.0212 | 2.13 | 1.00 | U | F | U | F | F | F |
| C2 → C3 | be | 0.0360 | −0.0734 | 1.02 | 0.62 | U | U | U | F | F | F |
| C2 → C1 | ain | 0.0102 | — | 0.61 | 1.00 | U | — | U | — | F | — |
| C1 → C2 | bin | 0.0299 | — | 1.03 | 1.00 | U | — | U | — | F | — |
| C1→ O | aa | 0.0116 | 0.0438 | 6.00 | 1.17 | U | U | U | F | U | F |
| O → C1 | bb | 0.000136 | −0.0418 | 1.23 | 1.00 | U | F | U | F | U | F |
| O → I | bi | 0.125 | 0.0231 | 0.90 | 1.00 | U | F | U | F | U | F |
| I → O | ai | 0.00364 | −0.0327 | 1.05 | 1.00 | U | F | U | F | F | F |
| F value | 2.83 × 10−6 | 4.67 × 10−6 | |||||||||
Experimental data obtained from hEK cells at room temperature. Underlined numbers are fixed values. U, unconstrained; F, fixed.