Table 1.
Inhibitor | Tm (°C) | ΔTm (°C) | KL at Tm (μM)a | KL at 25 °C (nM) | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
PR | PRD25N | PRD29N | PR | PRD25N | PRD29N | PR | PRD25N | PRD29N | PR (lit.) |
PR (calc.)a |
|
none | 65.7 | 58.4 | 59.0 | - | - | - | - | - | - | - | - |
DRV | 88.1 | 61.5 | 72.7 | 22.4 | 3.1 | 13.7 | 0.018 | 16.6 | 1.34 |
0.005b; 0.010c |
0.014 |
ATV | 86.5 | 61.4 | 71.7 | 20.8 | 3.0 | 12.7 | 0.036 | 17.4 | 1.80 | 0.035 c | 0.186 |
SQV | 85.0 | 62.6 | 72.3 | 19.3 | 4.2 | 13.3 | 0.066 | 10.0 | 1.51 | 0.28d,e | 8.14 |
RTV | 81.3 | 61.1 | 66.1 | 15.6 | 2.7 | 7.1 | 0.27 | 20.5 | 9.3 | 0.10d,e | 9.72 |
APV | 80.0 | 58.7 | 67.5 | 14.3 | 0.3 | 8.5 | 0.44 | 274 | 6.2 | 0.2d,e | 3.46 |
DMP323 | 81.0 | 67.3 | 69.2 | 14.7 | 8.9 | 10.2 | 0.30 | 1.6 | 3.7 | 3.8 f | - |
RPB | 74.4 | 64.6 | 59.2 | 8.7 | 6.2 | 0.2 | 2.9 | 4.4 | 1178 | 50 g | - |
Ac-PEP | 72.2 | 58.8 | 58.3 | 6.5 | 0.4 | - | 6.1 | 202 | - | 440 e | 2956 |
Ligand dissociation constants calculated by the method of Brandts and Lin27 with ΔH = 43.3, 53.1 and 26.4 kcal/mol (this work) for PR, PRD25N and PRD29N, respectively. ΔCP = 3 kcal/mol·degree as measured25,26 for PR was used in calculations for all three constructs. KL values for PR at Tm (this work) and at 25 °C are italicized for ease of comparison.
Cited from Refs.