Study : PA5336 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: LGP_G_7(2F3T) / Model_5(2F3T/A) = [3.4] Download1280.1615.14MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
Complex: FMT_B_2(1Z8F) / Model_15(1Z8F/A) = [3.4] Download322.218.36MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
Complex: GDP_B_2(1ZNY) / Model_13(1ZNY/A) = [3.5] Download1205.637.58MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
Complex: LGP_G_7(2F3T) / Model_23(2F3T/B) = [3.5] Download1092.4415.50MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
Complex: FMT_A_3(1S4Q) / Model_10(1S4Q/A) = [3.5] Download359.109.20MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
Consensus
[pKd Mean = 3.46]
-851
(s=421)
11
(s=3)
MSGTLYIVSAPSGAGKTSLVKALLDAAPEVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA