Study : B9JPT8_AGRRK (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ANP_A_3(4OCV) / Model_47(4OCV/A) = [3.5] Download953.5827.78MSAPTEEMISVQKLVERLNAEYAFEVDYIGADLGGFSSQNNQLTLKDKRRMVLKRCDQSQWDPRNVDIATILAHHSSLIYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQRPNVSDFEREVTSVLEPTLSLSTDHADIIIRSIEAKRHILHSFSSDLSSINVGASSVIHGDFHNENILYRSDHVVAILDFEMLHWGNVEDDIISFIALGCCNNGFSEENLRMANIFVKEYLSLHGENLDLHTALLRFIHLKSSSLFLQKMLIYTGNMLYAQIIERDNKLFPSIMKKHREISKTLSSL
Complex: AMP_A_3(4R78) / Model_27(4R78/A) = [3.9] Download980.6323.29MSAPTEEMISVQKLVERLNAEYAFEVDYIGADLGGFSSQNNQLTLKDKRRMVLKRCDQSQWDPRNVDIATILAHHSSLIYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQRPNVSDFEREVTSVLEPTLSLSTDHADIIIRSIEAKRHILHSFSSDLSSINVGASSVIHGDFHNENILYRSDHVVAILDFEMLHWGNVEDDIISFIALGCCNNGFSEENLRMANIFVKEYLSLHGENLDLHTALLRFIHLKSSSLFLQKMLIYTGNMLYAQIIERDNKLFPSIMKKHREISKTLSSL
Consensus
[pKd Mean = 3.70]
-967
(s=13)
25
(s=2)
MSAPTEEMISVQKLVERLNAEYAFEVDYIGADLGGFSSQNNQLTLKDKRRMVLKRCDQSQWDPRNVDIATILAHHSSLIYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQRPNVSDFEREVTSVLEPTLSLSTDHADIIIRSIEAKRHILHSFSSDLSSINVGASSVIHGDFHNENILYRSDHVVAILDFEMLHWGNVEDDIISFIALGCCNNGFSEENLRMANIFVKEYLSLHGENLDLHTALLRFIHLKSSSLFLQKMLIYTGNMLYAQIIERDNKLFPSIMKKHREISKTLSSL