Study : Rv0208c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: SAH_A_3(3DXZ) / Model_3(3DXZ/A) = [5.6] Download1347.4226.48MVHHGQMHAQPGVGLRPDTPVASGQLPSTSIRSRRSGISKAQRETWERLWPELGLLALPQSPRGTPVDTRAWFGRDAPVVLEIGSGSGTSTLAMAKAEPHVDVIAVDVYRRGLAQLLCAIDKVGSDGINIRLILGNAVDVLQHLIAPDSLCGVRVFFPDPWPKARHHKRRLLQPATMALIADRLVPSGVLHAATDHPGYAEHIAAAGDAEPRLVRVDPDTELLPISVVRPATKYERKAQLGGGAVIELLWKKHGCSERDLKIR
Complex: SAM_A_3(3DXY) / Model_2(3DXY/A) = [6.3] Download1400.2723.41MVHHGQMHAQPGVGLRPDTPVASGQLPSTSIRSRRSGISKAQRETWERLWPELGLLALPQSPRGTPVDTRAWFGRDAPVVLEIGSGSGTSTLAMAKAEPHVDVIAVDVYRRGLAQLLCAIDKVGSDGINIRLILGNAVDVLQHLIAPDSLCGVRVFFPDPWPKARHHKRRLLQPATMALIADRLVPSGVLHAATDHPGYAEHIAAAGDAEPRLVRVDPDTELLPISVVRPATKYERKAQLGGGAVIELLWKKHGCSERDLKIR
Complex: SAM_A_3(3DXY) / Model_33(3DXY/A) = [6.3] Download1340.3823.41MVHHGQMHAQPGVGLRPDTPVASGQLPSTSIRSRRSGISKAQRETWERLWPELGLLALPQSPRGTPVDTRAWFGRDAPVVLEIGSGSGTSTLAMAKAEPHVDVIAVDVYRRGLAQLLCAIDKVGSDGINIRLILGNAVDVLQHLIAPDSLCGVRVFFPDPWPKARHHKRRLLQPATMALIADRLVPSGVLHAATDHPGYAEHIAAAGDAEPRLVRVDPDTELLPISVVRPATKYERKAQLGGGAVIELLWKKHGCSERDLKIR
Consensus
[pKd Mean = 6.07]		-1362
(s=26)		24
(s=1)		MVHHGQMHAQPGVGLRPDTPVASGQLPSTSIRSRRSGISKAQRETWERLWPELGLLALPQSPRGTPVDTRAWFGRDAPVVLEIGSGSGTSTLAMAKAEPHVDVIAVDVYRRGLAQLLCAIDKVGSDGINIRLILGNAVDVLQHLIAPDSLCGVRVFFPDPWPKARHHKRRLLQPATMALIADRLVPSGVLHAATDHPGYAEHIAAAGDAEPRLVRVDPDTELLPISVVRPATKYERKAQLGGGAVIELLWKKHGCSERDLKIR