Study : jhp_0310 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ACO_C_8(4RI1) / Model_21(4RI1/C) = [7.9] Download1448.9231.08MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKGGTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL
Complex: ACO_A_4(4RI1) / Model_50(4RI1/A) = [8.0] Download1625.5633.59MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKGGTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL
Complex: ACO_A_4(4RI1) / Model_1(4RI1/A) = [8.0] Download1625.5633.59MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKGGTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL
Complex: ACO_B_6(4RI1) / Model_22(4RI1/B) = [8.2] Download1555.0135.11MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKGGTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL
Consensus
[pKd Mean = 8.02]
-1563
(s=72)
33
(s=1)
MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKGGTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL