Study : Lmo2759 (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: EDO_A_4(4JLL) / Model_24(4JLL/A) = [3.1] Download512.7214.71MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV
Complex: MES_A_3(1HJZ) / Model_58(1HJZ/A) = [3.4] Download528.0023.68MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV
Complex: MES_A_2(1VHU) / Model_74(1VHU/A) = [3.6] Download440.8023.29MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV
Complex: ADP_A_2(4D86) / Model_5(4D86/A) = [4.5] Download1425.2219.75MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV
Complex: AR6_B_5(4IQY) / Model_21(4IQY/B) = [10.8] Download954.1914.82MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV
Consensus
[pKd Mean = 5.08]
-772
(s=373)
19
(s=3)
MEITIVKGDITEQEVDVIVNAANSGLLGGGGVDGAIHQAAGPDLLKECQEVINRIGSCPAGEAVITSAGDLKATYIIHAVGPIWKDGEHQEANKLASCYWKALDLAAGKDLTSIAFPNISTGVYGFPKKLAAEVALYTVRKWAEEEYDTSIKEIRFVCFDEENLKLYNKLINSEVV