Study : Lmo0938 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: MES_B_2(5PNT) / Model_3(5PNT/A) = [3.6] Download477.9912.62LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK
Complex: EPE_C_3(1D1P) / Model_20(1D1P/A) = [3.9] Download666.3712.00LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK
Complex: PMS_A_5(4Z9A) / Model_6(4Z9A/A) = [3.9] Download420.6013.00LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK
Complex: EPE_A_3(3IDO) / Model_39(3IDO/A) = [4.3] Download565.8217.00LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK
Complex: EPE_B_4(3IDO) / Model_38(3IDO/B) = [4.4] Download762.3812.62LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK
Consensus
[pKd Mean = 4.02]
-578
(s=123)
13
(s=1)
LVKVVFVCLGNICRSPMAEGLFRKEVANAGLTDEIKIDSAATGTWNLGKPPHRGTQEVLKKHGVDYQAMRARKISDADFKEADFIIGMDQQNLADLNALNNNPDVIIRSLMSFVSGQEDKDIPDPYYTGDFDETERMVTEGVKALLAYITKK