Study : bsu22610 (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: ENO_C_8(3GGO) / Model_25(3GGO/C) = [3.2] Download676.5316.18MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD
Complex: ENO_B_6(3GGO) / Model_26(3GGO/B) = [3.3] Download542.9716.95MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD
Complex: NAD_A_2(3B1F) / Model_46(3B1F/A) = [5.2] Download1846.3635.97MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD
Complex: NAD_C_9(3GGG) / Model_27(3GGG/C) = [6.3] Download1530.8627.93MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD
Complex: NAD_B_7(3GGP) / Model_23(3GGP/B) = [6.7] Download1582.4627.47MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD
Consensus
[pKd Mean = 4.94]
-1235
(s=523)
24
(s=7)
MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD