Study : jhp_0864 (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: IPE_A_6(3PDE) / Model_64(3PDE/A) = [3.1] Download1046.9814.50MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT
Complex: DST_D_11(3KRO) / Model_33(3KRO/D) = [3.1] Download652.1615.19MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT
Complex: DST_B_9(1RQI) / Model_45(1RQI/B) = [3.2] Download613.4518.00MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT
Complex: DST_A_10(1RQI) / Model_20(1RQI/A) = [3.4] Download546.5818.72MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT
Complex: IPE_B_9(4LLT) / Model_28(4LLT/B) = [3.4] Download723.2618.50MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT
Consensus
[pKd Mean = 3.24]
-716
(s=174)
16
(s=2)
MSNPNLSFYCNECERFESFLKNHYLHLEGFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCSLVGKKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAILRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNSLLESRIIVELVKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGINDEELLKWLQAFGLKMGLCFQVLDDIIDVTQDEKESGKTTHLDSAKNSFVNLLGLKKASGYAQTLKTEILNDLNALEPTYLSLQENLNALLNTLFKGKT