Study : Lmo1092 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: DPO_A_12(2F7F) / Model_41(2F7F/A) = [3.3] Download535.8618.10MTNLFQDDSLTLHTDLYQLNMMKAYFDDGLHERRSVFEVFFRDMPFDSGFVVFAGLERIIHYMQNLRFTETDIAYLHDELGFDGPFLEYLRNFKFKGNILAAKEGEFVFKTEPILQVEASLAEAQLIETALLNIVNFQTLIATKAARIRSVIDDETFAEFGTRRAQEMDAAIWGTRAAYIGGCDSTSNVRAGKIFGIPVSGTMAHAMVQAYRDELEAFRSYAKTHFDSIFLVDTYDTLKSGVPNAIKVAKEMGDKINFIGIRLDSGDMAFLSKKARQMLDEAGFTEAKIFASSDLDEHTILSLKAQKAKIDSWGVGTKLITAYDQPALGAVYKMAAIADENDILQDSIKLSSNTEKVSTPGKKKVYRIITNEDGLKAEGDYIALADESLENVDKLTMFHPVHTYIMKTVENFTARELLVPIFQNGELVYDMPSLDEIKAYKEENLALLWDEYKRTVRPEQYPVDLSVKCWKNKMRNIEKVRKSVQLHSPVELDMPF
Complex: DPO_A_12(2F7F) / Model_1(2F7F/A) = [3.3] Download558.5818.10MTNLFQDDSLTLHTDLYQLNMMKAYFDDGLHERRSVFEVFFRDMPFDSGFVVFAGLERIIHYMQNLRFTETDIAYLHDELGFDGPFLEYLRNFKFKGNILAAKEGEFVFKTEPILQVEASLAEAQLIETALLNIVNFQTLIATKAARIRSVIDDETFAEFGTRRAQEMDAAIWGTRAAYIGGCDSTSNVRAGKIFGIPVSGTMAHAMVQAYRDELEAFRSYAKTHFDSIFLVDTYDTLKSGVPNAIKVAKEMGDKINFIGIRLDSGDMAFLSKKARQMLDEAGFTEAKIFASSDLDEHTILSLKAQKAKIDSWGVGTKLITAYDQPALGAVYKMAAIADENDILQDSIKLSSNTEKVSTPGKKKVYRIITNEDGLKAEGDYIALADESLENVDKLTMFHPVHTYIMKTVENFTARELLVPIFQNGELVYDMPSLDEIKAYKEENLALLWDEYKRTVRPEQYPVDLSVKCWKNKMRNIEKVRKSVQLHSPVELDMPF
Complex: PCP_G_7(1YTE) / Model_6(1YTE/A) = [3.3] Download993.84-0.24MTNLFQDDSLTLHTDLYQLNMMKAYFDDGLHERRSVFEVFFRDMPFDSGFVVFAGLERIIHYMQNLRFTETDIAYLHDELGFDGPFLEYLRNFKFKGNILAAKEGEFVFKTEPILQVEASLAEAQLIETALLNIVNFQTLIATKAARIRSVIDDETFAEFGTRRAQEMDAAIWGTRAAYIGGCDSTSNVRAGKIFGIPVSGTMAHAMVQAYRDELEAFRSYAKTHFDSIFLVDTYDTLKSGVPNAIKVAKEMGDKINFIGIRLDSGDMAFLSKKARQMLDEAGFTEAKIFASSDLDEHTILSLKAQKAKIDSWGVGTKLITAYDQPALGAVYKMAAIADENDILQDSIKLSSNTEKVSTPGKKKVYRIITNEDGLKAEGDYIALADESLENVDKLTMFHPVHTYIMKTVENFTARELLVPIFQNGELVYDMPSLDEIKAYKEENLALLWDEYKRTVRPEQYPVDLSVKCWKNKMRNIEKVRKSVQLHSPVELDMPF
Complex: NCN_G_7(1YTK) / Model_7(1YTK/A) = [5.2] Download825.292.18MTNLFQDDSLTLHTDLYQLNMMKAYFDDGLHERRSVFEVFFRDMPFDSGFVVFAGLERIIHYMQNLRFTETDIAYLHDELGFDGPFLEYLRNFKFKGNILAAKEGEFVFKTEPILQVEASLAEAQLIETALLNIVNFQTLIATKAARIRSVIDDETFAEFGTRRAQEMDAAIWGTRAAYIGGCDSTSNVRAGKIFGIPVSGTMAHAMVQAYRDELEAFRSYAKTHFDSIFLVDTYDTLKSGVPNAIKVAKEMGDKINFIGIRLDSGDMAFLSKKARQMLDEAGFTEAKIFASSDLDEHTILSLKAQKAKIDSWGVGTKLITAYDQPALGAVYKMAAIADENDILQDSIKLSSNTEKVSTPGKKKVYRIITNEDGLKAEGDYIALADESLENVDKLTMFHPVHTYIMKTVENFTARELLVPIFQNGELVYDMPSLDEIKAYKEENLALLWDEYKRTVRPEQYPVDLSVKCWKNKMRNIEKVRKSVQLHSPVELDMPF
Consensus
[pKd Mean = 3.77]
-728
(s=190)
9
(s=8)
MTNLFQDDSLTLHTDLYQLNMMKAYFDDGLHERRSVFEVFFRDMPFDSGFVVFAGLERIIHYMQNLRFTETDIAYLHDELGFDGPFLEYLRNFKFKGNILAAKEGEFVFKTEPILQVEASLAEAQLIETALLNIVNFQTLIATKAARIRSVIDDETFAEFGTRRAQEMDAAIWGTRAAYIGGCDSTSNVRAGKIFGIPVSGTMAHAMVQAYRDELEAFRSYAKTHFDSIFLVDTYDTLKSGVPNAIKVAKEMGDKINFIGIRLDSGDMAFLSKKARQMLDEAGFTEAKIFASSDLDEHTILSLKAQKAKIDSWGVGTKLITAYDQPALGAVYKMAAIADENDILQDSIKLSSNTEKVSTPGKKKVYRIITNEDGLKAEGDYIALADESLENVDKLTMFHPVHTYIMKTVENFTARELLVPIFQNGELVYDMPSLDEIKAYKEENLALLWDEYKRTVRPEQYPVDLSVKCWKNKMRNIEKVRKSVQLHSPVELDMPF