Study : bsu08930 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: SAH_B_7(4JAL) / Model_22(4JAL/B) = [5.1] Download795.5923.25MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK
Complex: SAH_A_3(1MXI) / Model_4(1MXI/A) = [5.4] Download982.5525.22MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK
Complex: SAH_A_3(1MXI) / Model_41(1MXI/A) = [5.4] Download1096.4625.22MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK
Complex: SAH_A_3(4PZK) / Model_1(4PZK/A) = [6.1] Download913.8525.30MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK
Complex: SAH_B_4(4PZK) / Model_21(4PZK/B) = [6.2] Download736.8725.30MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK
Consensus
[pKd Mean = 5.64]
-905
(s=128)
24
(s=1)
MNIVALHVVLYQPEIPANTGNIARTCAATNTTLHLIRPLGFSTDDKMLKRAGLDYWEFVNVVYHDSLEELFEAYKKGKFFFITKFGQQPHTSFDYTDLDEDYFFVFGRETSGLPKDLIQNNMDRCLRLPMTEHVRSLNLSNTAAILVYEALRQQNYRDLK