Study : bsu17330 (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: DPO_A_3(3CRQ) / Model_8(3CRQ/A) = [3.4] Download481.9521.89MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
Complex: DST_B_6(2ZXU) / Model_22(2ZXU/B) = [3.4] Download600.4625.70MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
Complex: DMA_B_10(3EPL) / Model_23(3EPL/B) = [3.6] Download512.3119.35MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
Complex: PPV_A_10(3EPH) / Model_110(3EPH/A) = [3.9] Download409.6826.22MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
Complex: PPV_A_10(3EPH) / Model_10(3EPH/A) = [3.9] Download358.2826.22MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
Consensus
[pKd Mean = 3.64]
-472
(s=83)
23
(s=2)
MNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMDRDTLYERINQRVDLMMQSGLLPEVKRLYDKNVRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL