Study : Wbm0472 (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: THR_B_5(1EVK) / Model_38(1EVK/B) = [3.2] Download5478.0628.25MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI
Complex: 2CR_B_9(4P3O) / Model_40(4P3O/B) = [5.0] Download1513.0614.52MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI
Complex: 2CR_B_8(4P3P) / Model_39(4P3P/B) = [6.1] Download1259.0215.68MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI
Complex: 2CR_A_4(4P3P) / Model_13(4P3P/A) = [6.1] Download1217.4215.59MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI
Complex: AMP_A_4(1QF6) / Model_54(1QF6/A) = [6.3] Download765.3228.23MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI
Consensus
[pKd Mean = 5.34]
-2046
(s=1732)
20
(s=6)
MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI