Study : bsu33890 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: COA_B_6(1YVK) / Model_23(1YVK/B) = [6.6] Download1999.9226.06MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL
Complex: COA_C_7(1YVK) / Model_22(1YVK/C) = [6.8] Download2209.4127.45MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL
Complex: COA_D_8(1YVK) / Model_21(1YVK/D) = [7.5] Download2241.6730.16MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL
Complex: COA_A_5(1YVK) / Model_1(1YVK/A) = [8.6] Download2158.6924.12MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL
Complex: COA_A_5(1YVK) / Model_37(1YVK/A) = [8.6] Download2193.2424.12MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL
Consensus
[pKd Mean = 7.62]
-2160
(s=84)
26
(s=2)
MNMQKLRIELGEETNDELYDLLLLADPSKDIVDEYLERGECYTAWAGDELAGVYVLLKTRPQTVEIVNIAVKESLQKKGFGKQLVLDAIEKAKKLGADTIEIGTGNSSIHQLSLYQKCGFRIQAIDHDFFLRHYDEDIFENGIQCRDMVRLYLDL