Study : PA4211 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: HHA_B_7(3CNM) / Model_22(3CNM/B) = [3.5] Download511.7125.81MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
Complex: AJD_B_4(3JUO) / Model_18(3JUO/B) = [3.7] Download737.9429.74MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
Complex: HHA_A_6(3CNM) / Model_4(3CNM/A) = [3.7] Download482.9430.83MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
Complex: AKD_B_6(3JUQ) / Model_16(3JUQ/B) = [4.3] Download623.6928.00MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
Complex: AJD_A_3(3JUQ) / Model_11(3JUQ/A) = [4.8] Download729.8130.41MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
Consensus
[pKd Mean = 4.00]
-617
(s=106)
28
(s=2)
MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT