Study : Wbm0118 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: UMA_A_7(1P3D) / Model_26(1P3D/A) = [7.4] Download1940.44-0.93MRILNYTIINLVISKSLLLNMNGIKKGIIHIIGIGGIGMSAIAEILHNSNYKVQGSDAQSNNNVDRLQKLGIEIYIGHNANNIKQAQVVVYSSAIKSDNVELVAARNNNKTILHRSGILAEIMKDKYVIAVSGSSGKTTTTAMIASIFDHSNTDATVIVGGILNSYQNNSKLGKSDILLIEADESDETMLKIPANIAVITSINNDHIDHYGTFDNIKNAFSQFINSADFAILPDSVGINDSESVSIKFGFEGVYPFVIQSPFVVPVHDIGIKKKKSASCSIKASNVKANNIRQHNNSIEFDVLIDGCSIDRSHWIPASCTETTAVLPLSSTQITSLRSRIIKNVVLSNAIGMHKVSNALAAISVAIKLGINDVDIKKGLLEFKGVARRFSLVADIKDVKLIEDYAHHPSEIQATLTAARSITKGKIIGIIEPFRFARIRNFFDEFIRIFMMFDYVILVPVHPPEDKPILGCRIDDIQEALISNGFNNVKIMNDALLISNFISDSTNSGDIVLFIGAGINVARLARETVVFMSGVEI
Consensus
[pKd Mean = 7.40]
-1940
(s=0)
0
(s=0)
MRILNYTIINLVISKSLLLNMNGIKKGIIHIIGIGGIGMSAIAEILHNSNYKVQGSDAQSNNNVDRLQKLGIEIYIGHNANNIKQAQVVVYSSAIKSDNVELVAARNNNKTILHRSGILAEIMKDKYVIAVSGSSGKTTTTAMIASIFDHSNTDATVIVGGILNSYQNNSKLGKSDILLIEADESDETMLKIPANIAVITSINNDHIDHYGTFDNIKNAFSQFINSADFAILPDSVGINDSESVSIKFGFEGVYPFVIQSPFVVPVHDIGIKKKKSASCSIKASNVKANNIRQHNNSIEFDVLIDGCSIDRSHWIPASCTETTAVLPLSSTQITSLRSRIIKNVVLSNAIGMHKVSNALAAISVAIKLGINDVDIKKGLLEFKGVARRFSLVADIKDVKLIEDYAHHPSEIQATLTAARSITKGKIIGIIEPFRFARIRNFFDEFIRIFMMFDYVILVPVHPPEDKPILGCRIDDIQEALISNGFNNVKIMNDALLISNFISDSTNSGDIVLFIGAGINVARLARETVVFMSGVEI