Study : bsu28720 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: AHR_B_10(1PZ2) / Model_24(1PZ2/B) = [3.9] Download273.9221.89MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
Complex: KHO_J_10(1QW8) / Model_23(1QW8/B) = [4.6] Download760.4223.05MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
Complex: KHO_G_7(1QW8) / Model_3(1QW8/A) = [5.1] Download1033.6723.05MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
Complex: KHP_G_7(1QW9) / Model_70(1QW9/A) = [5.9] Download847.2920.82MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
Complex: KHP_G_7(1QW9) / Model_4(1QW9/A) = [5.9] Download893.2220.82MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
Consensus
[pKd Mean = 5.08]
-761
(s=259)
21
(s=1)
MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESLKPLISSPKYDCSDFTDVPYVDAAVVYSEEEETLTIFAVNKAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS