Study : SA2174 (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: FMT_A_4(2PEX) / Model_47(2PEX/A) = [3.4] Download189.3042.22MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK
Complex: GOL_A_5(4GXO) / Model_24(4GXO/B) = [3.4] Download753.1911.36MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK
Complex: BT6_A_5(3HSR) / Model_23(3HSR/B) = [3.7] Download709.9235.67MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK
Complex: BT6_D_14(3HSR) / Model_21(3HSR/D) = [3.7] Download713.2136.29MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK
Complex: BT6_A_5(3HSR) / Model_48(3HSR/A) = [4.1] Download566.2650.11MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK
Consensus
[pKd Mean = 3.66]
-586
(s=208)
35
(s=12)
MYVENSYLSKQLCFLFYVSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTREEKDERNLQISLTEQGKAIKSPLAEISVKVFNEFNISEREASDIINNLRNFVSKNFDYSDRK