Study : bsu25330 (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: SIN_A_6(4MCW) / Model_14(4MCW/A) = [3.6] Download601.34-14.71MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK
Complex: 2BA_D_8(4S1B) / Model_12(4S1B/D) = [8.9] Download1680.3816.94MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK
Complex: 2BA_A_5(4S1B) / Model_13(4S1B/A) = [8.9] Download1595.6222.03MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK
Complex: 2BA_A_5(4S1B) / Model_35(4S1B/A) = [9.1] Download1687.2418.97MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK
Complex: 2BA_A_5(4S1B) / Model_1(4S1B/A) = [9.1] Download1645.8018.97MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK
Consensus
[pKd Mean = 7.92]		-1442
(s=421)		12
(s=13)		MLKKKAKTKSSSKKWSSFKNARSMHVLLYLLLAAIMFALLFVHVKPETLDLDLFSVSDKTIYAPATVEDQKATEEKKQAAEDAVEDQYTLKKEYTDNRIDLVSSIFDSISEVKKSSEEGSKSPSEKSMVKSVKDKLTSDVNDSISEDSIKTLLKADSEDFSFVRDTVITAVNTVMSSEIPSDKLSDAKDKVEKELKSNSIPSKYLGAATEIGRFAIIPNYVFDPKATEAKRQEASDNVQQVQIKQGQVLVEENDLIDREVYRKLELTGLLNNSNLFKPISGLLIMIGLFIATLVYYFEKQKQNLKFKNQSILLFSIITTLLLVIMEVVSLFQKMEYNNIGYLVPIAAGAILIKLLMNERIAILGSIILAICGSMMFNQGVTGTFNYVIGIYYLISGISGVLFLGKHNARSKILQTGLFVAFINMVVVLSLLLIQNTALSGLEIGTLMLMGVVSGFASSVLIIGLMPFFETGFGILSTMRLLELSNPNHPLLRKILTETPGTYHHSVMVANLSEAACEAVGANGLLARVGAYYHDLGKTKRPQYFIENQMNIDNPHDKLSPQLSKNIIISHTTDGANMLRSYKFPKELVDIAEQHHGTSLLKFFYYKAKEKGDQITEEEFRYPGPKPQSKEAAIISVADSVEAAVRSMHNPNPERIEKLVRGIISDKLQDGQFSECDLTFKELDTIAKTLCATLKGIFHSRIEYPEATKKVK