Study : SA0297 (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: ADP_B_3(3J15) / Model_110(3J15/B) = [3.5] Download293.034.75MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
Complex: ADP_A_6(3BK7) / Model_111(3BK7/A) = [3.9] Download1049.7716.58MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
Complex: ATP_C_3(1VCI) / Model_51(1VCI/A) = [4.0] Download1738.216.59MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
Complex: ADP_B_8(3TIF) / Model_129(3TIF/A) = [4.0] Download1095.717.42MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
Complex: AGS_B_6(3C4J) / Model_33(3C4J/B) = [4.9] Download1390.9415.56MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE
Consensus
[pKd Mean = 4.06]
-1113
(s=478)
10
(s=4)
MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTLLKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHDERLKAYCDRSYHMKDGVLNLENETVE