Study : bsu18220 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BEZ_B_5(3R9T) / Model_78(3R9T/B) = [3.3] Download351.243.53MGDSILFTVKNEHMALITLNRPQAANALSAEMLRNLQMIIQEIEFNSNIRCVILTGTGEKAFCAGADLKERIKLKEDQVLESVSLIQRTAALLDALPQPVIAAINGSALGGGLELALACDLRIATEAAVLGLPETGLAIIPGAGGTQRLPRLIGRGKAKEFIYTGRRVTAHEAKEIGLVEHVTAPCDLMPKAEELAAAISANGPIAVRQAKFAINKGLETDLATGLAIEQKAYEQTIPTKDRREGLQAFQEKRRAVYKGI
Complex: EDO_A_4(3MOY) / Model_20(3MOY/A) = [3.6] Download209.8318.80MGDSILFTVKNEHMALITLNRPQAANALSAEMLRNLQMIIQEIEFNSNIRCVILTGTGEKAFCAGADLKERIKLKEDQVLESVSLIQRTAALLDALPQPVIAAINGSALGGGLELALACDLRIATEAAVLGLPETGLAIIPGAGGTQRLPRLIGRGKAKEFIYTGRRVTAHEAKEIGLVEHVTAPCDLMPKAEELAAAISANGPIAVRQAKFAINKGLETDLATGLAIEQKAYEQTIPTKDRREGLQAFQEKRRAVYKGI
Consensus
[pKd Mean = 3.45]
-280
(s=70)
11
(s=7)
MGDSILFTVKNEHMALITLNRPQAANALSAEMLRNLQMIIQEIEFNSNIRCVILTGTGEKAFCAGADLKERIKLKEDQVLESVSLIQRTAALLDALPQPVIAAINGSALGGGLELALACDLRIATEAAVLGLPETGLAIIPGAGGTQRLPRLIGRGKAKEFIYTGRRVTAHEAKEIGLVEHVTAPCDLMPKAEELAAAISANGPIAVRQAKFAINKGLETDLATGLAIEQKAYEQTIPTKDRREGLQAFQEKRRAVYKGI