Study : gbs1333 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: EDO_A_7(3IV3) / Model_5(3IV3/A) = [3.4] Download274.0421.81MVLTEQKRKYMEKLSDENGIISALAFDQRGALKRLMAQYQEAEPTVEQMEDLKVLVAEELTPYASSMLLDPEYGLPATKALDKNAGLLLAYEKTGYDTSSTKRLPDCLDVWSAKRIKEQGSDAVKFLLYYDVDSSDELNQQKQAYIERVGSECVAEDIPFFLEILAYDEKIADAGSAEYAKVKPRKVIEAMKVFSDSRFNIDVLKVEVPVNVKYVEGFGDGEVIHTRGEAAAFFKQQDEATNLPYIYLSAGVAAKLFQETLIFAHESGANFNGVLCGRATWAGSVKEYIEQGEEAARQWLRTTGYQNIEELNQVLKQTATSWKERV
Complex: EDO_A_7(3IV3) / Model_26(3IV3/A) = [3.4] Download308.4821.81MVLTEQKRKYMEKLSDENGIISALAFDQRGALKRLMAQYQEAEPTVEQMEDLKVLVAEELTPYASSMLLDPEYGLPATKALDKNAGLLLAYEKTGYDTSSTKRLPDCLDVWSAKRIKEQGSDAVKFLLYYDVDSSDELNQQKQAYIERVGSECVAEDIPFFLEILAYDEKIADAGSAEYAKVKPRKVIEAMKVFSDSRFNIDVLKVEVPVNVKYVEGFGDGEVIHTRGEAAAFFKQQDEATNLPYIYLSAGVAAKLFQETLIFAHESGANFNGVLCGRATWAGSVKEYIEQGEEAARQWLRTTGYQNIEELNQVLKQTATSWKERV
Consensus
[pKd Mean = 3.40]
-291
(s=17)
21
(s=0)
MVLTEQKRKYMEKLSDENGIISALAFDQRGALKRLMAQYQEAEPTVEQMEDLKVLVAEELTPYASSMLLDPEYGLPATKALDKNAGLLLAYEKTGYDTSSTKRLPDCLDVWSAKRIKEQGSDAVKFLLYYDVDSSDELNQQKQAYIERVGSECVAEDIPFFLEILAYDEKIADAGSAEYAKVKPRKVIEAMKVFSDSRFNIDVLKVEVPVNVKYVEGFGDGEVIHTRGEAAAFFKQQDEATNLPYIYLSAGVAAKLFQETLIFAHESGANFNGVLCGRATWAGSVKEYIEQGEEAARQWLRTTGYQNIEELNQVLKQTATSWKERV