Study : bsu34760 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NAD_A_13(2O2Z) / Model_2(2O2Z/A) = [6.0] Download1328.8626.52MGQKPKIAIFGGGTGLSVLLRGLKHKPVDITAIVTVADDGGSSGRLRNELKIPPPGDIRNVLAALSDVEPLVEDLFQHRFNKGNDLTGHSLGNLILAAMTNITGDFFHAVTEMSKVLNVRGKVLPAANASVVLHAEMEDGRVVSGESTIPEYGQRIKRVFLTPEQIDPLPETIDVIREADLIIIGPGSLYTSILPNLLVPKIGEEVIKAPAKKVYICNVMTQPGETLHYTAADHVKALNQHMGCGFIDTILVNSEDIPDEIKRKYEMESARPVDFDIEELKAMGLEVIRDQIVTYKNDVIRHDTHKVASLLVDLLKE
Complex: NAD_A_13(2O2Z) / Model_22(2O2Z/A) = [6.0] Download1292.4226.52MGQKPKIAIFGGGTGLSVLLRGLKHKPVDITAIVTVADDGGSSGRLRNELKIPPPGDIRNVLAALSDVEPLVEDLFQHRFNKGNDLTGHSLGNLILAAMTNITGDFFHAVTEMSKVLNVRGKVLPAANASVVLHAEMEDGRVVSGESTIPEYGQRIKRVFLTPEQIDPLPETIDVIREADLIIIGPGSLYTSILPNLLVPKIGEEVIKAPAKKVYICNVMTQPGETLHYTAADHVKALNQHMGCGFIDTILVNSEDIPDEIKRKYEMESARPVDFDIEELKAMGLEVIRDQIVTYKNDVIRHDTHKVASLLVDLLKE
Consensus
[pKd Mean = 6.00]
-1310
(s=18)
26
(s=0)
MGQKPKIAIFGGGTGLSVLLRGLKHKPVDITAIVTVADDGGSSGRLRNELKIPPPGDIRNVLAALSDVEPLVEDLFQHRFNKGNDLTGHSLGNLILAAMTNITGDFFHAVTEMSKVLNVRGKVLPAANASVVLHAEMEDGRVVSGESTIPEYGQRIKRVFLTPEQIDPLPETIDVIREADLIIIGPGSLYTSILPNLLVPKIGEEVIKAPAKKVYICNVMTQPGETLHYTAADHVKALNQHMGCGFIDTILVNSEDIPDEIKRKYEMESARPVDFDIEELKAMGLEVIRDQIVTYKNDVIRHDTHKVASLLVDLLKE