Study : bsu17430 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: GDP_A_3(3KXI) / Model_3(3KXI/A) = [6.3] Download813.94-2.64MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDYAGHEKTVLRLLEELEADDIPMLTAYNKRDQKLPDFIPTAGRDHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM
Complex: GDP_A_8(2QTH) / Model_2(2QTH/A) = [8.3] Download886.94-1.36MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDYAGHEKTVLRLLEELEADDIPMLTAYNKRDQKLPDFIPTAGRDHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM
Consensus
[pKd Mean = 7.30]
-850
(s=36)
-2
(s=0)
MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDYAGHEKTVLRLLEELEADDIPMLTAYNKRDQKLPDFIPTAGRDHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM