Table 2.
Without KI | With KI | ||||||||
---|---|---|---|---|---|---|---|---|---|
Inhibitor | T/K | Kads (103 × mol−1) | −ΔG°ads (kJ∙mol−1) | ΔH° (kJ∙mol−1) | ΔS° (kJ∙mol−1) | Kads (103 × mol−1) | −ΔG°ads (kJ∙mol−1) | ΔH° (kJ∙mol−1) | ΔS° (kJ·mol−1) |
Pc1 | 303 | 22.99 | −18.02 | 18.06 | 0.12 | 69.69 | −20.81 | 21.56 | 2.46 |
313 | 76.34 | −21.04 | 21.08 | 84.75 | −21.31 | 22.08 | |||
323 | 48.78 | −19.91 | 19.95 | 85.47 | −21.33 | 22.12 | |||
333 | 55.25 | −20.23 | 20.27 | 136.99 | −22.52 | 23.34 | |||
343 | 312.50 | −24.59 | 24.64 | 180.18 | −23.21 | 24.05 | |||
Pc2 | 303 | 15.65 | −17.05 | 17.08 | 0.09 | 42.28 | −19.55 | 21.07 | 5.00 |
313 | 34.25 | −19.02 | 19.05 | 48.19 | −19.88 | 21.45 | |||
323 | 90.09 | −21.46 | 21.49 | 61.54 | −20.50 | 22.11 | |||
333 | 99.01 | −21.70 | 21.73 | 76.28 | −21.04 | 22.70 | |||
343 | 51.68 | −20.06 | 20.09 | 86.96 | −21.37 | 23.08 | |||
Pc3 | 303 | 17.41 | −17.32 | 17.34 | 0.09 | 17.41 | −20.27 | 23.08 | 9.27 |
313 | 24.54 | −18.18 | 18.21 | 24.54 | −20.45 | 23.35 | |||
323 | 40.57 | −19.45 | 19.48 | 40.57 | −20.68 | 23.67 | |||
333 | 86.96 | −21.37 | 21.40 | 86.96 | −21.08 | 24.17 | |||
343 | 55.71 | −20.25 | 20.28 | 55.71 | −21.75 | 24.93 | |||
Pc4 | 303 | 9.38 | −15.76 | 15.79 | 0.11 | 54.95 | −20.21 | 25.33 | 16.88 |
313 | 14.42 | −16.84 | 16.88 | 58.14 | −20.36 | 25.64 | |||
323 | 35.03 | −19.08 | 19.11 | 56.66 | −20.29 | 25.74 | |||
333 | 40.98 | −19.48 | 19.51 | 61.35 | −20.49 | 26.11 | |||
343 | 46.84 | −19.81 | 19.85 | 66.45 | −20.69 | 26.48 | |||
nPc1 | 303 | 54.94 | −20.21 | 20.22 | 0.01 | 65.15 | −20.64 | 19.45 | −3.95 |
313 | 51.68 | −20.06 | 20.06 | 67.11 | −20.72 | 19.48 | |||
323 | 64.72 | −20.63 | 20.63 | 81.30 | −21.20 | 19.93 | |||
333 | 76.63 | −21.05 | 21.06 | 101.01 | −21.75 | 20.43 | |||
343 | 59.00 | −20.39 | 20.40 | 256.41 | −24.10 | 22.74 | |||
nPc2 | 303 | 17.41 | −17.32 | 17.35 | 0.10 | 93.90 | −21.56 | 28.91 | 24.25 |
313 | 19.36 | −17.59 | 17.62 | 134.23 | −22.46 | 30.05 | |||
323 | 53.33 | −20.14 | 20.17 | 82.99 | −21.25 | 29.08 | |||
333 | 70.92 | −20.86 | 20.89 | 92.59 | −21.53 | 29.60 | |||
343 | 66.89 | −20.71 | 20.74 | 96.62 | −21.64 | 29.95 | |||
nPc3 | 303 | 47.28 | −19.84 | 19.86 | 0.09 | 108.70 | −21.93 | 28.72 | 22.41 |
313 | 51.95 | −20.07 | 20.10 | 128.21 | −22.35 | 29.36 | |||
323 | 20.41 | −17.72 | 17.75 | 99.50 | −21.71 | 28.95 | |||
333 | 116.96 | −22.12 | 22.15 | 116.96 | −22.12 | 29.58 | |||
343 | 173.91 | −23.12 | 23.15 | 111.11 | −21.99 | 29.67 |