Study : bsu27590 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: EPE_B_7(3LMV) / Model_34(3LMV/B) = [3.1] Download848.3150.67KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK
Complex: ADP_C_9(3KO5) / Model_57(3KO5/C) = [3.1] Download1061.9037.62KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK
Complex: ADP_B_8(3KO5) / Model_58(3KO5/B) = [3.2] Download689.5941.91KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK
Complex: ADP_B_7(3KO4) / Model_63(3KO4/B) = [3.2] Download1089.0939.77KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK
Complex: DHI_D_7(3KOC) / Model_50(3KOC/D) = [3.2] Download895.6435.00KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK
Consensus
[pKd Mean = 3.16]
-916
(s=146)
40
(s=5)
KRLVVQRVTEASVTVDEEVVGQIGQGLMVLVGITHDDTEDDAAYLADKVVNLRIFDDSEGKMNLSLVDIGGEILSVSQFTLYGDTKKGRRPNYMNAAKPDKALGLYEKWNDLLREKGIKVETGTFGAMMDVQLTNSGPVTLIMDSK