Study : jhp_1054 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: ALA_A_2(4G4W) / Model_7(4G4W/A) = [3.1] Download1109.3838.69MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKENHMQVLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK
Complex: DAL_A_2(4G4X) / Model_8(4G4X/A) = [3.3] Download173.899.55MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKENHMQVLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK
Complex: API_A_2(4G4V) / Model_6(4G4V/A) = [4.3] Download324.228.33MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKENHMQVLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK
Consensus
[pKd Mean = 3.57]
-535
(s=410)
18
(s=14)
MKRSSVFSFLVAFLLVVGCSHKMDNKTVAGDVSTKAVQTAPVTTEPAPEKEEPKQEPAPVVEEKPAIESGTIIASIYFDFDKYEIKESDQETLDEIVQKAKENHMQVLLEGNTDEFGSSEYNQALGVKRTLSVKNALVIKGVEKDMIKTISFGESKPKCVQKTRECYRENRRVDVKLVK