Study : Wbm0158 (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: FBP_A_2(2R8T) / Model_3(2R8T/A) = [4.8] Download847.26-5.74MENLAYKLIKVTEAAALAAYKLVGLGDEKKADQVAVDAMRTVLNSMEINGTIVIGEGERDKAPMLYVGEKVGTGNGPEIDIAVDPLEGTTICAHYKQSAMSVLAAAKKGDFLHAPDIYMEKIAIGKDLPIGVVSLKNSVEKNFDNLAQAKKCEVNDLTVTILKRERHNNLILKIRKLGARVKLIDDGDIAAIVSLINGSHDIYIGIGGAPEGVLAAAALSSIGGQMEGRLIFDTHQSKERAKILNIDDLEKIYSIKDMVKGESVFIATGVTSGELVDGVKFGYNICSTSSLIMLHNKVIKLQTIQNLC
Complex: FBP_A_2(3D1R) / Model_2(3D1R/A) = [5.2] Download679.07-3.00MENLAYKLIKVTEAAALAAYKLVGLGDEKKADQVAVDAMRTVLNSMEINGTIVIGEGERDKAPMLYVGEKVGTGNGPEIDIAVDPLEGTTICAHYKQSAMSVLAAAKKGDFLHAPDIYMEKIAIGKDLPIGVVSLKNSVEKNFDNLAQAKKCEVNDLTVTILKRERHNNLILKIRKLGARVKLIDDGDIAAIVSLINGSHDIYIGIGGAPEGVLAAAALSSIGGQMEGRLIFDTHQSKERAKILNIDDLEKIYSIKDMVKGESVFIATGVTSGELVDGVKFGYNICSTSSLIMLHNKVIKLQTIQNLC
Consensus
[pKd Mean = 5.00]
-763
(s=84)
-4
(s=1)
MENLAYKLIKVTEAAALAAYKLVGLGDEKKADQVAVDAMRTVLNSMEINGTIVIGEGERDKAPMLYVGEKVGTGNGPEIDIAVDPLEGTTICAHYKQSAMSVLAAAKKGDFLHAPDIYMEKIAIGKDLPIGVVSLKNSVEKNFDNLAQAKKCEVNDLTVTILKRERHNNLILKIRKLGARVKLIDDGDIAAIVSLINGSHDIYIGIGGAPEGVLAAAALSSIGGQMEGRLIFDTHQSKERAKILNIDDLEKIYSIKDMVKGESVFIATGVTSGELVDGVKFGYNICSTSSLIMLHNKVIKLQTIQNLC