Study : bsu33000 (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: CHAIN_F_6(3QO6) / Model_21(3QO6/C) = [3.5] Download--MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS
Complex: CHAIN_B_2(3MH7) / Model_10(3MH7/A) = [3.6] Download--MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS
Complex: CHAIN_F_6(3PV3) / Model_25(3PV3/B) = [3.8] Download--MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS
Complex: CHAIN_D_4(3QO6) / Model_1(3QO6/A) = [4.0] Download--MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS
Complex: CHAIN_D_4(3QO6) / Model_107(3QO6/A) = [4.0] Download--MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS
Consensus
[pKd Mean = 3.78]		-0
(s=0)		0
(s=0)		MDYRRDGQNDQHQTEPSHTEQQNTENQKLIGHSEQELLDAPVSYEAGRQETASALEMEKQETAVKKEKKRRAAWLSPILGGIIGGGLMLGIAPYLPSDQNQATETASANKQVQSDNFTTAPITNASNIADMVEDLEPTIVGISNIQTSQNNTFGTGGGSSSESESGTGSGVIFKKDSDKAYIITNNHVVEGANKLTVTLYNGETETAKLVGSDTITDLAVLEISGKNVKKVASFGDSSQLRTGEKVIAIGNPLGQQFSGTVTQGIISGLNRTIDVDTTQGTVEMNVLQTDAAINPGNSGGPLINASGQVIGINSLKVSESGVESLGFAIPSNDVEPIVDQLLQNGKVDRPFLGVQMIDMSQVPETYQENTLGLFGDQLGKGVYVKEVQANSPAEKAGIKSEDVIVKLNGKDVESSADIRQILYKDLKVGDKTTIQVLRKGKTKTLNATLTKQTESSSS