Study : PA0162 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: C8E_B_8(4FMS) / Model_17(4FMS/B) = [3.1] Download446.1555.22MRNLFALTPMALALCTASAAWADEGEAKEGFIEGSSLQLLTRNYYFNHDRRHASGHDSKEWAQGFIATFQSGYTPGVVGFGVDAYGMLGLKLDGGGGTGGTSILPITSPSKEGYESGKAPDEFSSGGAALKIRAFDTELKLGDQFLSNPVVAGGESRMLPQTFRGVSLTNNSFEDLTLTAGQVSFTKYYNQSGHRRLGSYYGELPGDRDSHHLSWLGGTWGGIEGFTSSLYAAELQNVWKQYYADVDYTYEIDDNWSLNPGAHYYKTVDSGDSLLGRIDNNTYSLHFAVGYRQHTVTAVLQKVNGNTPFDYINQGDSIFLDNSQQYSDFNGPNEKSWKLQYDYDFVALGLPGLSASASYSRGKLDLTRVDPDSPGYGGWYSADGKNAKHWERDLDLQYVVQGGPAKDLSLRLRWATHRGTGGYSAVDNDIDEYRVIVDYPIDVF
Complex: C8E_A_5(3T0S) / Model_15(3T0S/A) = [3.4] Download967.6459.36MRNLFALTPMALALCTASAAWADEGEAKEGFIEGSSLQLLTRNYYFNHDRRHASGHDSKEWAQGFIATFQSGYTPGVVGFGVDAYGMLGLKLDGGGGTGGTSILPITSPSKEGYESGKAPDEFSSGGAALKIRAFDTELKLGDQFLSNPVVAGGESRMLPQTFRGVSLTNNSFEDLTLTAGQVSFTKYYNQSGHRRLGSYYGELPGDRDSHHLSWLGGTWGGIEGFTSSLYAAELQNVWKQYYADVDYTYEIDDNWSLNPGAHYYKTVDSGDSLLGRIDNNTYSLHFAVGYRQHTVTAVLQKVNGNTPFDYINQGDSIFLDNSQQYSDFNGPNEKSWKLQYDYDFVALGLPGLSASASYSRGKLDLTRVDPDSPGYGGWYSADGKNAKHWERDLDLQYVVQGGPAKDLSLRLRWATHRGTGGYSAVDNDIDEYRVIVDYPIDVF
Complex: C8E_A_5(2Y0H) / Model_71(2Y0H/A) = [3.4] Download819.8159.36MRNLFALTPMALALCTASAAWADEGEAKEGFIEGSSLQLLTRNYYFNHDRRHASGHDSKEWAQGFIATFQSGYTPGVVGFGVDAYGMLGLKLDGGGGTGGTSILPITSPSKEGYESGKAPDEFSSGGAALKIRAFDTELKLGDQFLSNPVVAGGESRMLPQTFRGVSLTNNSFEDLTLTAGQVSFTKYYNQSGHRRLGSYYGELPGDRDSHHLSWLGGTWGGIEGFTSSLYAAELQNVWKQYYADVDYTYEIDDNWSLNPGAHYYKTVDSGDSLLGRIDNNTYSLHFAVGYRQHTVTAVLQKVNGNTPFDYINQGDSIFLDNSQQYSDFNGPNEKSWKLQYDYDFVALGLPGLSASASYSRGKLDLTRVDPDSPGYGGWYSADGKNAKHWERDLDLQYVVQGGPAKDLSLRLRWATHRGTGGYSAVDNDIDEYRVIVDYPIDVF
Complex: C8E_A_5(2Y0H) / Model_14(2Y0H/A) = [3.4] Download961.4959.36MRNLFALTPMALALCTASAAWADEGEAKEGFIEGSSLQLLTRNYYFNHDRRHASGHDSKEWAQGFIATFQSGYTPGVVGFGVDAYGMLGLKLDGGGGTGGTSILPITSPSKEGYESGKAPDEFSSGGAALKIRAFDTELKLGDQFLSNPVVAGGESRMLPQTFRGVSLTNNSFEDLTLTAGQVSFTKYYNQSGHRRLGSYYGELPGDRDSHHLSWLGGTWGGIEGFTSSLYAAELQNVWKQYYADVDYTYEIDDNWSLNPGAHYYKTVDSGDSLLGRIDNNTYSLHFAVGYRQHTVTAVLQKVNGNTPFDYINQGDSIFLDNSQQYSDFNGPNEKSWKLQYDYDFVALGLPGLSASASYSRGKLDLTRVDPDSPGYGGWYSADGKNAKHWERDLDLQYVVQGGPAKDLSLRLRWATHRGTGGYSAVDNDIDEYRVIVDYPIDVF
Consensus
[pKd Mean = 3.33]
-798
(s=212)
58
(s=1)
MRNLFALTPMALALCTASAAWADEGEAKEGFIEGSSLQLLTRNYYFNHDRRHASGHDSKEWAQGFIATFQSGYTPGVVGFGVDAYGMLGLKLDGGGGTGGTSILPITSPSKEGYESGKAPDEFSSGGAALKIRAFDTELKLGDQFLSNPVVAGGESRMLPQTFRGVSLTNNSFEDLTLTAGQVSFTKYYNQSGHRRLGSYYGELPGDRDSHHLSWLGGTWGGIEGFTSSLYAAELQNVWKQYYADVDYTYEIDDNWSLNPGAHYYKTVDSGDSLLGRIDNNTYSLHFAVGYRQHTVTAVLQKVNGNTPFDYINQGDSIFLDNSQQYSDFNGPNEKSWKLQYDYDFVALGLPGLSASASYSRGKLDLTRVDPDSPGYGGWYSADGKNAKHWERDLDLQYVVQGGPAKDLSLRLRWATHRGTGGYSAVDNDIDEYRVIVDYPIDVF