Study : PA0423 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: 8PP_H_8(1Y0G) / Model_12(1Y0G/D) = [13.0] Download2400.4636.91MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
Complex: 8PP_E_5(1Y0G) / Model_1(1Y0G/A) = [13.3] Download2004.2037.93MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
Complex: 8PP_E_5(1Y0G) / Model_15(1Y0G/A) = [13.3] Download1943.2037.93MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
Complex: 8PP_F_6(1Y0G) / Model_14(1Y0G/B) = [13.6] Download1930.9836.91MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
Complex: 8PP_G_7(1Y0G) / Model_13(1Y0G/C) = [13.6] Download2166.6437.74MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ
Consensus
[pKd Mean = 13.36]
-2089
(s=176)
37
(s=0)
MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGGYRAGFEGSATLKLKDFGIKMDLGPASQEVELLLSVEGIRQ