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Table 2 IC50 and predicted energies computed before and after minimization for four kinase-PP1 complexes

From: A computational protocol to evaluate the effects of protein mutants in the kinase gatekeeper position on the binding of ATP substrate analogues

Protein-PP1 complexes IC50 (μM) Predicted interaction energies (kcal/mol) Predicted interaction energies after minimization (kcal/mol)
Fyn-PP1 0.05 ± 0.02 −36.81 −44.30
FynT339A-PP1 0.005 ± 0.002 −36.21 −45.83
Abl-PP1 0.3 ± 0.03 −32.93 −43.54
AblT334A-PP1 0.03 ± 0.005 −33.86 −42.95