Study : Wbm0759 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: 3BH_A_3(3FZH) / Model_74(3FZH/A) = [4.0] Download921.834.43MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK
Complex: 3F5_A_3(3M3Z) / Model_69(3M3Z/A) = [4.0] Download1230.671.61MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK
Complex: TRS_A_5(3A8Y) / Model_37(3A8Y/A) = [4.2] Download522.3612.40MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK
Complex: TRS_B_6(3A8Y) / Model_36(3A8Y/B) = [4.2] Download376.3511.65MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK
Complex: 3BK_A_5(3FZK) / Model_73(3FZK/A) = [4.7] Download1490.62-3.08MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK
Consensus
[pKd Mean = 4.22]
-908
(s=418)
5
(s=5)
MRPIQISEPNSNEVVFGIDLGTTNSLIAVVNKAGNVEIFTDEQGRELLPSVISYENNTLKTGYDVDQNAIYPIKRLMGKSVEDLNKEGINLEIDNESEKIIRVKCSEDKYLTPIEISAEILKALCERVKKSTGMEVRKAVITVPAYFDDSARNATKYAAKLAGIEVLRLINEPTAAALSYSIAKNNNSGIYAVYDLGGGTFDISILKLHQGVFQVLAVGGDTKLGGDDFDHLLSMIILDKYRKKVGKDLNSLKHLSTKSRSIKEHLSKNISSTFEFNINGELFKCKITKEEFEQTISSLVNKTINIVTHTISNIDLKIEDIEGVILVGGATRVPLVQSSLVKLFGNKVLNDVDPDKAVAIGAALQAHYLTSNSKDRNVLLDVLPLSLGIETMGGIVEKIIPRNTPLPVSETREFTTYIDGQTAIKIHVCQGEREIIEDNKSLAQFELKGIPQLPAGSARVEIEFIVNVDGILTVTAREKTTGIEQTVEINSSFGLSEADIQDMVNQSINNFDEDMKARSLAEAKINGNKLIHLVESNDNLSTDKNLKNLLQNTKNALQGNDLNEINNAITELESFSLELCESTNK