Study : Lmo0279 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: TTP_A_5(1H79) / Model_1(1H79/A) = [4.1] Download1548.4621.04MYVEQLNEQMVIKRDGRKASFDLIKIRNAVEASMKAINLEDETFLEEILLEVVSELPNKADMTIDEIQHCVENTLMKSTYPDVARAYIEYRHDRDHERENITDMHKSVEKLLQKDKTVVNENANKDATVFNTQRDLTAGAVAKSYALKYMLPKHVSNAHLKGEIHFHDLDYSPYHAMTNCCLIDIEGMLSKGFTIGNANVESPKSIQTATAQIAQIIANVASSQYGGCSVDRIDEVLSVYARLNFEKHKKDAMEWVVPEKQEGYAAEKTRKDIYDAMQSLEYEINTLYTSNGQTPFVTLGFGLGEDWFAREIQKAILKVRIGGVGKDKHTAIFPKLVFSIRRGTNLNAEDPNYDIKQLALECSSKRMYPDVLNYDSLVRLTGDFKVPMGCRSFLPAWENENGEHVNAGRNNLGVVTLNIPRIAIQSGGDKERFWEIFHERMKTVKDALLFRLNRVRQARPENAPILYKYGAFGKRLQDGEDVDQLFNKERSTISIGYIGLYEAATVFYGGEWEGDKEAKNFTLDIVKELKAYADNWKDEYGYWFSVYSTPSESLTDRFNRLDKEKYGVIKDITDKDYYQNSFHYDVRKKIDFEKDYPEFCSGGFIHYCEYPKMVHNTKALEAVWDYSYDRVAYLGTNTPIDKCYECDFEGEFVPTEEGFKCPSCGNTDPEKADVVKRTCGYLGNPMKRPMVHGRHVEISNRVKHMENLGE
Complex: DCP_A_2(1H78) / Model_4(1H78/A) = [4.2] Download1672.1815.19MYVEQLNEQMVIKRDGRKASFDLIKIRNAVEASMKAINLEDETFLEEILLEVVSELPNKADMTIDEIQHCVENTLMKSTYPDVARAYIEYRHDRDHERENITDMHKSVEKLLQKDKTVVNENANKDATVFNTQRDLTAGAVAKSYALKYMLPKHVSNAHLKGEIHFHDLDYSPYHAMTNCCLIDIEGMLSKGFTIGNANVESPKSIQTATAQIAQIIANVASSQYGGCSVDRIDEVLSVYARLNFEKHKKDAMEWVVPEKQEGYAAEKTRKDIYDAMQSLEYEINTLYTSNGQTPFVTLGFGLGEDWFAREIQKAILKVRIGGVGKDKHTAIFPKLVFSIRRGTNLNAEDPNYDIKQLALECSSKRMYPDVLNYDSLVRLTGDFKVPMGCRSFLPAWENENGEHVNAGRNNLGVVTLNIPRIAIQSGGDKERFWEIFHERMKTVKDALLFRLNRVRQARPENAPILYKYGAFGKRLQDGEDVDQLFNKERSTISIGYIGLYEAATVFYGGEWEGDKEAKNFTLDIVKELKAYADNWKDEYGYWFSVYSTPSESLTDRFNRLDKEKYGVIKDITDKDYYQNSFHYDVRKKIDFEKDYPEFCSGGFIHYCEYPKMVHNTKALEAVWDYSYDRVAYLGTNTPIDKCYECDFEGEFVPTEEGFKCPSCGNTDPEKADVVKRTCGYLGNPMKRPMVHGRHVEISNRVKHMENLGE
Complex: DGT_A_3(1HK8) / Model_5(1HK8/A) = [5.1] Download1739.7917.45MYVEQLNEQMVIKRDGRKASFDLIKIRNAVEASMKAINLEDETFLEEILLEVVSELPNKADMTIDEIQHCVENTLMKSTYPDVARAYIEYRHDRDHERENITDMHKSVEKLLQKDKTVVNENANKDATVFNTQRDLTAGAVAKSYALKYMLPKHVSNAHLKGEIHFHDLDYSPYHAMTNCCLIDIEGMLSKGFTIGNANVESPKSIQTATAQIAQIIANVASSQYGGCSVDRIDEVLSVYARLNFEKHKKDAMEWVVPEKQEGYAAEKTRKDIYDAMQSLEYEINTLYTSNGQTPFVTLGFGLGEDWFAREIQKAILKVRIGGVGKDKHTAIFPKLVFSIRRGTNLNAEDPNYDIKQLALECSSKRMYPDVLNYDSLVRLTGDFKVPMGCRSFLPAWENENGEHVNAGRNNLGVVTLNIPRIAIQSGGDKERFWEIFHERMKTVKDALLFRLNRVRQARPENAPILYKYGAFGKRLQDGEDVDQLFNKERSTISIGYIGLYEAATVFYGGEWEGDKEAKNFTLDIVKELKAYADNWKDEYGYWFSVYSTPSESLTDRFNRLDKEKYGVIKDITDKDYYQNSFHYDVRKKIDFEKDYPEFCSGGFIHYCEYPKMVHNTKALEAVWDYSYDRVAYLGTNTPIDKCYECDFEGEFVPTEEGFKCPSCGNTDPEKADVVKRTCGYLGNPMKRPMVHGRHVEISNRVKHMENLGE
Consensus
[pKd Mean = 4.47]		-1653
(s=79)		17
(s=2)		MYVEQLNEQMVIKRDGRKASFDLIKIRNAVEASMKAINLEDETFLEEILLEVVSELPNKADMTIDEIQHCVENTLMKSTYPDVARAYIEYRHDRDHERENITDMHKSVEKLLQKDKTVVNENANKDATVFNTQRDLTAGAVAKSYALKYMLPKHVSNAHLKGEIHFHDLDYSPYHAMTNCCLIDIEGMLSKGFTIGNANVESPKSIQTATAQIAQIIANVASSQYGGCSVDRIDEVLSVYARLNFEKHKKDAMEWVVPEKQEGYAAEKTRKDIYDAMQSLEYEINTLYTSNGQTPFVTLGFGLGEDWFAREIQKAILKVRIGGVGKDKHTAIFPKLVFSIRRGTNLNAEDPNYDIKQLALECSSKRMYPDVLNYDSLVRLTGDFKVPMGCRSFLPAWENENGEHVNAGRNNLGVVTLNIPRIAIQSGGDKERFWEIFHERMKTVKDALLFRLNRVRQARPENAPILYKYGAFGKRLQDGEDVDQLFNKERSTISIGYIGLYEAATVFYGGEWEGDKEAKNFTLDIVKELKAYADNWKDEYGYWFSVYSTPSESLTDRFNRLDKEKYGVIKDITDKDYYQNSFHYDVRKKIDFEKDYPEFCSGGFIHYCEYPKMVHNTKALEAVWDYSYDRVAYLGTNTPIDKCYECDFEGEFVPTEEGFKCPSCGNTDPEKADVVKRTCGYLGNPMKRPMVHGRHVEISNRVKHMENLGE