Study : bsu34870 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: POP_B_10(1OX4) / Model_15(1OX4/B) = [3.2] Download528.7022.59MITKRIIPCLDVKEGRVVKGIQFLELKDAGDPVELAEVYDREGADELVFLDISASHEGRKTMVDVVEQVAAKLAIPFTVGGGINQLSDMKTILRAGADKVSVNTAAVLRPELITEGAEFFGSQCIVLAIDAKYDKESDTYKVYTHGGRKKTDWEVTAWAKEGVKRGAGEILLTSMDSDGEKKGFDHTLTKLVSEAVPVPVIASGGAGNAQHMLEAFTKGEADAALAASIFHYKETSIKEVKSYLKEYGVNVR
Complex: 0VR_D_2(4EWN) / Model_8(4EWN/D) = [4.6] Download1054.3017.13MITKRIIPCLDVKEGRVVKGIQFLELKDAGDPVELAEVYDREGADELVFLDISASHEGRKTMVDVVEQVAAKLAIPFTVGGGINQLSDMKTILRAGADKVSVNTAAVLRPELITEGAEFFGSQCIVLAIDAKYDKESDTYKVYTHGGRKKTDWEVTAWAKEGVKRGAGEILLTSMDSDGEKKGFDHTLTKLVSEAVPVPVIASGGAGNAQHMLEAFTKGEADAALAASIFHYKETSIKEVKSYLKEYGVNVR
Consensus
[pKd Mean = 3.90]
-791
(s=262)
19
(s=2)
MITKRIIPCLDVKEGRVVKGIQFLELKDAGDPVELAEVYDREGADELVFLDISASHEGRKTMVDVVEQVAAKLAIPFTVGGGINQLSDMKTILRAGADKVSVNTAAVLRPELITEGAEFFGSQCIVLAIDAKYDKESDTYKVYTHGGRKKTDWEVTAWAKEGVKRGAGEILLTSMDSDGEKKGFDHTLTKLVSEAVPVPVIASGGAGNAQHMLEAFTKGEADAALAASIFHYKETSIKEVKSYLKEYGVNVR