Study : jhp_0183 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ATP_B_9(1O93) / Model_15(1O93/A) = [3.2] Download905.947.12MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR
Complex: ADP_B_9(1O92) / Model_14(1O92/A) = [3.4] Download806.548.88MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR
Complex: ATP_B_9(1O9T) / Model_40(1O9T/A) = [3.6] Download837.563.86MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR
Complex: SAM_A_4(2OBV) / Model_17(2OBV/A) = [5.0] Download971.286.05MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR
Complex: SAM_A_2(4ODJ) / Model_18(4ODJ/A) = [5.1] Download1066.696.05MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR
Consensus
[pKd Mean = 4.06]
-917
(s=93)
6
(s=1)
MKDSFLFTSESVTEGHPDKMADQISDAVLDYIIERDKKAKVACETLVSNGFCMITGELKTSVYAPMQEIAREVVKKIGYTDALYGFDYRSAAVLNGIGEQSPDINQGVDREDGEIGAGDQGLMFGYACKETETLMPLPIHLAHQLAFALAQKRKDNTLPFLRPDGKSQVSVRYENNKPVSVDTIVISTQHSPEVSQKHLKEAVIEEIVYKVLPKEYLHDNIKFFINPTGKFVIGGPQGDAGLTGRKIIVDTYGGFCPHGGGAFSGKDPSKVDRSAAYAARYVAKNLVASGVCDKATVQLAYAIGVIEPVSIYVNTHNTSKHSSAELEKCVKSVFKLTPKGIIESLDLLRPIYSLTSAYGHFGRELEEFTWEKTNKVEEIKAFFKR