Study : bsu41010 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FAD_B_4(2ZXH) / Model_24(2ZXH/B) = [11.0] Download542.6724.92MGYEAGQYDVIVIGAGHAGVEAALASARQGAKTLVLTINLDMVAFMPCNPSVGGPAKGIVVREIDALGGEMGRNIDKTHIQMRMLNTGKGPAVRALRAQADKFQYQHEMKNTLEKEPNLTLLQGIVERLIVEDGECRGVITQTGAHYRAKAVVMTTGTYLRGRIILGDLSYSSGPNNQQPSIKLSEHLEELGFDLVRFKTGTPPRVKSDTIDYSKTEIQPGDDVPRAFSYETVEYITDQLPCWLTYTSPETHEIIDSNLHRSPMYSGMIKGTGPRYCPSIEDKVVRFNDKPRHQIFLEPEGRNTQEVYVQGLSTSLPEDVQQRMLATIPGLENVQMMRAGYAIEYDAIVPTQLWPTLETKKITNLYTAGQINGTSGYEEAAGQGIMAGINAGRKALGKEEVILSRSDAYIGVLIDDLVTKGTNEPYRLLTSRAEYRLLLRHDNADLRLTEIGHRIGLISDERYAAFEKKKAAIEAEKKRLHSVIIKPSPENQEYIRSLGGSELKDGVRGTDLMKRPEMNYETVTKLAPPEVPVPQDVAEQVEIQVKYEGYIEKSLQQVEKLKKMENKKIPDRIDYDAIKGIATEARQKLKNVRPLSVAQASRISGVNPADISILLVYLEQGRIAKIAE
Complex: FAD_A_3(2ZXH) / Model_3(2ZXH/A) = [11.5] Download590.5225.52MGYEAGQYDVIVIGAGHAGVEAALASARQGAKTLVLTINLDMVAFMPCNPSVGGPAKGIVVREIDALGGEMGRNIDKTHIQMRMLNTGKGPAVRALRAQADKFQYQHEMKNTLEKEPNLTLLQGIVERLIVEDGECRGVITQTGAHYRAKAVVMTTGTYLRGRIILGDLSYSSGPNNQQPSIKLSEHLEELGFDLVRFKTGTPPRVKSDTIDYSKTEIQPGDDVPRAFSYETVEYITDQLPCWLTYTSPETHEIIDSNLHRSPMYSGMIKGTGPRYCPSIEDKVVRFNDKPRHQIFLEPEGRNTQEVYVQGLSTSLPEDVQQRMLATIPGLENVQMMRAGYAIEYDAIVPTQLWPTLETKKITNLYTAGQINGTSGYEEAAGQGIMAGINAGRKALGKEEVILSRSDAYIGVLIDDLVTKGTNEPYRLLTSRAEYRLLLRHDNADLRLTEIGHRIGLISDERYAAFEKKKAAIEAEKKRLHSVIIKPSPENQEYIRSLGGSELKDGVRGTDLMKRPEMNYETVTKLAPPEVPVPQDVAEQVEIQVKYEGYIEKSLQQVEKLKKMENKKIPDRIDYDAIKGIATEARQKLKNVRPLSVAQASRISGVNPADISILLVYLEQGRIAKIAE
Consensus
[pKd Mean = 11.25]
-566
(s=23)
25
(s=0)
MGYEAGQYDVIVIGAGHAGVEAALASARQGAKTLVLTINLDMVAFMPCNPSVGGPAKGIVVREIDALGGEMGRNIDKTHIQMRMLNTGKGPAVRALRAQADKFQYQHEMKNTLEKEPNLTLLQGIVERLIVEDGECRGVITQTGAHYRAKAVVMTTGTYLRGRIILGDLSYSSGPNNQQPSIKLSEHLEELGFDLVRFKTGTPPRVKSDTIDYSKTEIQPGDDVPRAFSYETVEYITDQLPCWLTYTSPETHEIIDSNLHRSPMYSGMIKGTGPRYCPSIEDKVVRFNDKPRHQIFLEPEGRNTQEVYVQGLSTSLPEDVQQRMLATIPGLENVQMMRAGYAIEYDAIVPTQLWPTLETKKITNLYTAGQINGTSGYEEAAGQGIMAGINAGRKALGKEEVILSRSDAYIGVLIDDLVTKGTNEPYRLLTSRAEYRLLLRHDNADLRLTEIGHRIGLISDERYAAFEKKKAAIEAEKKRLHSVIIKPSPENQEYIRSLGGSELKDGVRGTDLMKRPEMNYETVTKLAPPEVPVPQDVAEQVEIQVKYEGYIEKSLQQVEKLKKMENKKIPDRIDYDAIKGIATEARQKLKNVRPLSVAQASRISGVNPADISILLVYLEQGRIAKIAE