Study : Wbm0787 (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: C5P_B_4(2YYU) / Model_28(2YYU/B) = [3.8] Download999.9411.89MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS
Complex: C5P_A_3(2YYU) / Model_9(2YYU/A) = [4.2] Download1051.7811.89MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS
Complex: C5P_A_3(2YYU) / Model_32(2YYU/A) = [4.3] Download881.5414.35MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS
Complex: U5P_A_3(3UWQ) / Model_2(3UWQ/A) = [5.6] Download993.3310.16MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS
Complex: U5P_B_9(3UWQ) / Model_21(3UWQ/B) = [5.8] Download895.0811.00MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS
Consensus
[pKd Mean = 4.74]
-964
(s=65)
11
(s=1)
MNPIICALDTQDLNEAISLANTLRDKVGMIKLGLEFFAAHGPSGVREVAKCNVPTFLDLKLHDIPNTVAKTVEAIKVLNIEILTLHISGGTKMLEEALSIVKDTKTKLIGVTVLTSMSNEDLSELGIAREVKSQVILFAKLAKKVGLHGIVCSALEAQEVYQECGKDFKIITSGIRVGFGHDDQKRTATPKEAINSGADYIVIGRPITKSNSPANSAELILKSLS