Study : PA2978 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: EPE_D_4(1D1P) / Model_26(1D1P/B) = [3.3] Download764.5111.62MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL
Complex: ADE_B_6(1D2A) / Model_39(1D2A/B) = [3.4] Download270.7311.92MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL
Complex: B85_A_2(4Z9B) / Model_9(4Z9B/A) = [3.4] Download451.6112.33MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL
Complex: EPE_C_3(1D1P) / Model_13(1D1P/A) = [3.8] Download500.4317.67MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL
Complex: EPE_A_3(3JS5) / Model_4(3JS5/A) = [4.5] Download511.5114.54MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL
Consensus
[pKd Mean = 3.68]
-499
(s=158)
13
(s=2)
MRVLFVCLGNICRSPTAEGVFRRKVEEAGLASRIHVDSAGTAGWHVGKAPDQRTRLAAQRRGYDLSALRGRQVGIEDFSRHDLILAMDLSNLADLETLRAGRGAAELDLFLRRYGSERDEVPDPYYGGEEGFEQVLDLIEHACDRLLIEAKGRL