Study : bsu13540 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_D_1(4WX9) / Model_3(4WX9/A) = [4.2] Download--MNYYTTAETPLGELIIAEEEDRITRLFLSQEDWVDWKETVQNTEHKETPNLAEAKQQLQEYFAGERKTFSLPLSQKGTPFQQKVWQALERIPYGESRSYADIAAAVGSPKAVRAVGQANKRNDLPIFVPCHRVIGKNSALTGYAGSKTEIKAFLLNIERISYKEK
Complex: NACID_E_3(1T39) / Model_21(1T39/B) = [6.1] Download--MNYYTTAETPLGELIIAEEEDRITRLFLSQEDWVDWKETVQNTEHKETPNLAEAKQQLQEYFAGERKTFSLPLSQKGTPFQQKVWQALERIPYGESRSYADIAAAVGSPKAVRAVGQANKRNDLPIFVPCHRVIGKNSALTGYAGSKTEIKAFLLNIERISYKEK
Complex: NACID_C_1(1T39) / Model_9(1T39/A) = [6.2] Download--MNYYTTAETPLGELIIAEEEDRITRLFLSQEDWVDWKETVQNTEHKETPNLAEAKQQLQEYFAGERKTFSLPLSQKGTPFQQKVWQALERIPYGESRSYADIAAAVGSPKAVRAVGQANKRNDLPIFVPCHRVIGKNSALTGYAGSKTEIKAFLLNIERISYKEK
Consensus
[pKd Mean = 5.50]
-0
(s=0)
0
(s=0)
MNYYTTAETPLGELIIAEEEDRITRLFLSQEDWVDWKETVQNTEHKETPNLAEAKQQLQEYFAGERKTFSLPLSQKGTPFQQKVWQALERIPYGESRSYADIAAAVGSPKAVRAVGQANKRNDLPIFVPCHRVIGKNSALTGYAGSKTEIKAFLLNIERISYKEK