Study : bsu24950 (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_4(4AYX) / Model_52(4AYX/A) = [3.1] Download704.756.79MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
Complex: ACP_A_4(4AYT) / Model_53(4AYT/A) = [3.3] Download408.266.69MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
Complex: ADP_A_3(3TIF) / Model_49(3TIF/A) = [4.2] Download1143.8010.94MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
Complex: ADP_B_6(2HYD) / Model_91(2HYD/B) = [4.2] Download1136.6314.88MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
Complex: ADP_B_2(2FF7) / Model_94(2FF7/A) = [4.3] Download441.339.67MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
Consensus
[pKd Mean = 3.82]
-766
(s=321)
9
(s=3)
MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG