Study : bsu24160 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CAA_D_4(1IL0) / Model_52(1IL0/B) = [4.3] Download2098.1342.18MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS
Complex: CAA_C_3(1M76) / Model_17(1M76/A) = [4.7] Download1669.8848.43MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS
Complex: CAA_C_3(1F0Y) / Model_8(1F0Y/A) = [5.0] Download1508.8248.70MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS
Complex: CAA_C_3(1M75) / Model_18(1M75/A) = [5.1] Download2213.2646.65MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS
Complex: CAA_D_4(1M75) / Model_56(1M75/B) = [5.1] Download1975.3146.06MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS
Consensus
[pKd Mean = 4.84]
-1893
(s=264)
46
(s=2)
MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPEAAEAGLKRLKKQLARDAEKGKRTETEVKSVINRISISQTLEEAEHADIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSKYRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS