Study : bsu13850 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ACP_A_3(3A1C) / Model_56(3A1C/A) = [5.5] Download1273.1817.50MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK
Complex: ADP_B_5(3A1D) / Model_24(3A1D/B) = [5.6] Download1056.6312.39MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK
Complex: ATP_B_4(2YJ5) / Model_29(2YJ5/B) = [6.0] Download1058.7012.91MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK
Complex: A99_A_3(2YJ6) / Model_17(2YJ6/A) = [6.0] Download1719.4712.57MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK
Complex: A99_A_3(2YJ5) / Model_16(2YJ5/A) = [6.3] Download1781.0517.17MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK
Consensus
[pKd Mean = 5.88]
-1377
(s=314)
14
(s=2)
MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGETKRVPVSDLQAGDMIVIKPGERVAADGIIESGSTSLDESALTGESMPVEKNTGDTVFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHFALGWSWSETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIETQSSHPLAQAITAYAESRGVNQSGYISIEETSGFGVMAEVSGAKWKVGKAGFIGEEMAAQFMKQTASDVIQSGHTIVFVKKDDQIAGCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGMTTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK