Study : Wbm0290 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: CFX_A_2(3MZE) / Model_12(3MZE/A) = [3.1] Download872.457.05MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWERKGSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLFHDIGVDGLKTGYTNAGGYGIVISAKRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKDMIPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF
Complex: BO9_A_2(1Z6F) / Model_8(1Z6F/A) = [3.7] Download1565.5823.69MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWERKGSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLFHDIGVDGLKTGYTNAGGYGIVISAKRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKDMIPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF
Complex: HJ3_A_2(3BEB) / Model_9(3BEB/A) = [3.9] Download1031.324.90MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWERKGSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLFHDIGVDGLKTGYTNAGGYGIVISAKRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKDMIPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF
Consensus
[pKd Mean = 3.57]
-1156
(s=296)
11
(s=8)
MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWERKGSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLFHDIGVDGLKTGYTNAGGYGIVISAKRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKDMIPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF