Study : SA0888 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ATP_A_5(1L2T) / Model_21(1L2T/B) = [3.5] Download1041.921.75MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM
Complex: ATP_C_3(1VCI) / Model_40(1VCI/A) = [3.8] Download1331.88-13.80MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM
Complex: ATP_B_6(3FVQ) / Model_90(3FVQ/A) = [3.8] Download1016.501.23MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM
Complex: ATP_B_6(3FVQ) / Model_86(3FVQ/A) = [3.8] Download1038.391.23MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM
Complex: ATP_A_3(3FVQ) / Model_85(3FVQ/B) = [3.9] Download992.871.23MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM
Consensus
[pKd Mean = 3.76]
-1084
(s=125)
-1
(s=6)
MIELKDLTIQKGNIHILKKLNLKFQCGKSYALIGKSGCGKSTLLNTIAGLEKTGKQYVYFNGQLEQFKSNFYRDKLGYLFQNYGLIDNLTVNENLDIGLAYKKISKKEKEQLKIRYIEQFGLSNSLKRKVHTLSGGEQQRVALIRMMLKDPIVMLADEPTGALDPKTGQMIIQSLFDLVDENKVLILATHDMAIANQCDEIIDLEQYSKVASM