Study : jhp_1027 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BG6_A_5(2BHL) / Model_14(2BHL/A) = [3.6] Download724.1513.40MLDFDLVLFGATGDLAMRKLFVSLYEIYIHYGFKNDSRIIASGRKELSNEEFLALLCEKTQLHSREKGEEFLTHISYLRVRLDNPKDFEELSKIATNNKPLIFYFSISPSFFATTAQNLAQNALNHANTRLILEKPLGHDLKTCKEIFQSISAFFKEEQIFRIDHYLGKKGVQNILELRLNNPILNILWDQISAVEICVYETLGVEERGEFYDKIGALRDMVQNHLLQVLSLIATDLPNDLKDLRQEKIKVLKTLQPPKDFTKQVIRAQYQGYRDENKVHKESQTETFVAIKAFLDTPKFKGVPFYLKHAKKMPRNQASVKIHFNAVNTLEFFLSQDKITLTLKDHQNPLILETHNKQEFLQPYAKLLYDAIPNNHYNFAHQLELEASWVFIDTLIEGFINNATPLYSYESHNLNESEFLKPLYQ
Complex: BG6_A_2(1E7Y) / Model_8(1E7Y/A) = [3.8] Download1228.4628.35MLDFDLVLFGATGDLAMRKLFVSLYEIYIHYGFKNDSRIIASGRKELSNEEFLALLCEKTQLHSREKGEEFLTHISYLRVRLDNPKDFEELSKIATNNKPLIFYFSISPSFFATTAQNLAQNALNHANTRLILEKPLGHDLKTCKEIFQSISAFFKEEQIFRIDHYLGKKGVQNILELRLNNPILNILWDQISAVEICVYETLGVEERGEFYDKIGALRDMVQNHLLQVLSLIATDLPNDLKDLRQEKIKVLKTLQPPKDFTKQVIRAQYQGYRDENKVHKESQTETFVAIKAFLDTPKFKGVPFYLKHAKKMPRNQASVKIHFNAVNTLEFFLSQDKITLTLKDHQNPLILETHNKQEFLQPYAKLLYDAIPNNHYNFAHQLELEASWVFIDTLIEGFINNATPLYSYESHNLNESEFLKPLYQ
Consensus
[pKd Mean = 3.70]
-976
(s=252)
20
(s=7)
MLDFDLVLFGATGDLAMRKLFVSLYEIYIHYGFKNDSRIIASGRKELSNEEFLALLCEKTQLHSREKGEEFLTHISYLRVRLDNPKDFEELSKIATNNKPLIFYFSISPSFFATTAQNLAQNALNHANTRLILEKPLGHDLKTCKEIFQSISAFFKEEQIFRIDHYLGKKGVQNILELRLNNPILNILWDQISAVEICVYETLGVEERGEFYDKIGALRDMVQNHLLQVLSLIATDLPNDLKDLRQEKIKVLKTLQPPKDFTKQVIRAQYQGYRDENKVHKESQTETFVAIKAFLDTPKFKGVPFYLKHAKKMPRNQASVKIHFNAVNTLEFFLSQDKITLTLKDHQNPLILETHNKQEFLQPYAKLLYDAIPNNHYNFAHQLELEASWVFIDTLIEGFINNATPLYSYESHNLNESEFLKPLYQ