Study : PA0189 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: C8E_A_7(2Y0H) / Model_45(2Y0H/A) = [3.4] Download365.6656.67MQNLRRAVFAGLVAGTLSEGAAATAGDGGFVEDSELQFLARTYYFNRDYRDSPNNAGRNRFKPRSERNGYREEATQGLRLQFASGYTPGSLGFGLDAHAMLGLQLDSGGGRTGTGNLPVGADGHPDHRYGKVGGALRLRHGETRLKYGQTTTSAPVFAASSNRTLAGMAYGLLLEDRSFDGLLLEGGRFTAASGPGESKVRGDISTVYGRLGAYPVRLDAVGFLGGQWQATERLQLSLYASRFDDIWQQAYFGASHRQPLGGERALRVDLDAYRTRDSGQSRFGRIDTLTSSLALGYEHGPQRITLAYQRVHGEQPFDYMAFGDGRSSASMVLANSVGYSDFNGPGERSWQLRYDLDLGALGLPGLSLHALHARGRAGASASSAAESIYAGLYGRDGRHRENDLGFAYRVKAGPLAGLALRASQAWHRGNASYLDGDIDETRLVVDYSRSIW
Consensus
[pKd Mean = 3.40]
-365
(s=0)
56
(s=0)
MQNLRRAVFAGLVAGTLSEGAAATAGDGGFVEDSELQFLARTYYFNRDYRDSPNNAGRNRFKPRSERNGYREEATQGLRLQFASGYTPGSLGFGLDAHAMLGLQLDSGGGRTGTGNLPVGADGHPDHRYGKVGGALRLRHGETRLKYGQTTTSAPVFAASSNRTLAGMAYGLLLEDRSFDGLLLEGGRFTAASGPGESKVRGDISTVYGRLGAYPVRLDAVGFLGGQWQATERLQLSLYASRFDDIWQQAYFGASHRQPLGGERALRVDLDAYRTRDSGQSRFGRIDTLTSSLALGYEHGPQRITLAYQRVHGEQPFDYMAFGDGRSSASMVLANSVGYSDFNGPGERSWQLRYDLDLGALGLPGLSLHALHARGRAGASASSAAESIYAGLYGRDGRHRENDLGFAYRVKAGPLAGLALRASQAWHRGNASYLDGDIDETRLVVDYSRSIW