Study : bsu05930 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: CHAIN_E_5(2CNM) / Model_27(2CNM/B) = [4.9] Download--MKTKAAVRNMRLEDIDHVYEIEASSFTSPWTKDSFYHELLENPYAHYLVIEKDGHLAGYCGIWIVMDDAQITNIAIKPEYRGQSLGETLFRSAVELCKEKDARRLSLEVRVSNHPAQGLYKKFGMQPGGIRKNYYTDNGEDALIMWVTINE
Complex: CHAIN_F_6(2CNM) / Model_26(2CNM/C) = [5.6] Download--MKTKAAVRNMRLEDIDHVYEIEASSFTSPWTKDSFYHELLENPYAHYLVIEKDGHLAGYCGIWIVMDDAQITNIAIKPEYRGQSLGETLFRSAVELCKEKDARRLSLEVRVSNHPAQGLYKKFGMQPGGIRKNYYTDNGEDALIMWVTINE
Complex: CHAIN_D_4(2CNM) / Model_1(2CNM/A) = [6.8] Download--MKTKAAVRNMRLEDIDHVYEIEASSFTSPWTKDSFYHELLENPYAHYLVIEKDGHLAGYCGIWIVMDDAQITNIAIKPEYRGQSLGETLFRSAVELCKEKDARRLSLEVRVSNHPAQGLYKKFGMQPGGIRKNYYTDNGEDALIMWVTINE
Consensus
[pKd Mean = 5.77]		-0
(s=0)		0
(s=0)		MKTKAAVRNMRLEDIDHVYEIEASSFTSPWTKDSFYHELLENPYAHYLVIEKDGHLAGYCGIWIVMDDAQITNIAIKPEYRGQSLGETLFRSAVELCKEKDARRLSLEVRVSNHPAQGLYKKFGMQPGGIRKNYYTDNGEDALIMWVTINE