Study : Wbm0561 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FAD_C_3(1BHY) / Model_90(1BHY/A) = [9.0] Download1120.8311.93MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK
Complex: FAD_C_3(1OJT) / Model_89(1OJT/A) = [9.4] Download946.0515.57MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK
Complex: FAD_C_3(1OJT) / Model_106(1OJT/A) = [10.8] Download704.3217.47MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK
Complex: FAD_A_3(3II4) / Model_88(3II4/A) = [11.0] Download780.3222.58MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK
Complex: FAD_A_3(2A8X) / Model_114(2A8X/A) = [11.0] Download630.7916.11MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK
Consensus
[pKd Mean = 10.24]		-836
(s=176)		16
(s=3)		MNNYDLIVIGGGPSGYKCAIAAAKLGLKVACIDKNSIFGGTCLRVGCIPSKALLHSSYQYVYTKNNLPKLGIKTKDVNFNLKEMLGYKDARVQELGKGIDYLFNLYKITKINGLGKITSFDQDSLKVSVEDKVLKTKNIVIATGSNVSSLPGINIDEKNIISSTGALSLTEVPKKLVVIGAGAIGLEISSVWSRLGSEVIVVEFLDRIAATMDGELSKSLLSSLQKQGIKFMLSTKVEKIKQNSNSLSVKVSSIKDNQTNTIETDKVLIAVGRKPCTEDLGIDEKIEEDNRGFIQVNNRYETNVKGIFAIGDVIGGAMLAHKAEEEGVAVAEIIAGQSPHVDYEIIPSVIYTHPAVSSIGKIEEELKSAGRKYKVGKCQFAANGRAKITDDAEGFVKVLTCSTTDTILGVHIIGAYADTLINEAAVAMAYGAAAEDIYRICHSHPDINEAFRDACIDAFFKK