Table 3.
Spacing | 0.25 | 0.50 | 1.00 | |
---|---|---|---|---|
CDK+PKA (1Q8W) ΔG=−8.22 |
ΔGpb | 38.22 | 38.05 | 37.66 |
Gcomplex | −1015.08 | −1009.11 | −989.98 | |
Greceptor | −1037.07 | −1030.98 | −1011.63 | |
Gligand | −16.23 | −16.18 | −16.01 | |
Glucosidase (2J75) ΔG=−10.01 |
ΔGpb | 18.45 | 18.16 | 17.15 |
Gcomplex | −1155.17 | −1148.50 | −1127.40 | |
Greceptor | −1164.35 | −1157.53 | −1136.03 | |
Gligand | −9.26 | −9.13 | −8.52 | |
Thrombin (1VZQ) ΔG=−17.52 |
ΔGpb | 3.75 | 3.36 | 2.26 |
Gcomplex | −1013.07 | −1008.16 | −992.10 | |
Greceptor | −998.43 | −993.21 | −976.32 | |
Gligand | −18.39 | −18.31 | −18.03 | |
Trypsin (1O2Q) ΔG=−18.87 |
ΔGpb | 19.87 | 19.67 | 18.94 |
Gcomplex | −531.31 | −527.06 | −513.28 | |
Greceptor | −540.93 | −536.51 | −522.09 | |
Gligand | −10.26 | −10.22 | −10.13 | |
Urokinase (1C5Z) ΔG=−13.23 |
ΔGpb | 38.41 | 38.32 | 37.97 |
Gcomplex | −660.30 | −655.93 | −641.54 | |
Greceptor | −684.76 | −680.31 | −665.62 | |
Gligand | −13.96 | −13.94 | −13.89 | |
Factor Xa (1LPZ) ΔG=−20.19 |
ΔGpb | 12.93 | 12.77 | 12.31 |
Gcomplex | −687.45 | −682.79 | −668.09 | |
Greceptor | −683.83 | −679.08 | −664.12 | |
Gligand | −16.55 | −16.48 | −16.28 |