Study : C7NMJ1_HALUD (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: ANP_A_3(3W0S) / Model_47(3W0S/A) = [3.9] Download1605.884.58MSGAAEIIEAILGESGPDYESYSFEETPGDTRSDSHFVTVEYQGESYEVVVKLAPEVDSTFAVEPFLHEYVAERTDVPLPGILVFKEEPEQDVPPYFITERIHGDNLDEHFESFSMDERGAIMFEIGEILGDMHSTIAFEGYGRLDLDDGRLIVRDLSWDWRAYFEELTQGHIDQLAETTFEDLQPTARERLADRLSVVPKQGTPRLVHDDFRPGNLLIEPDGPEISAVLDWEKTLAGDPLYNLAQIELLFIDSVFRDPDEREQLRERLYEGYGTETDFDADESYQACKPLYQFSTLVWRMAGFDSIYGDASPLARTRAEAYYREQFTNLARTLEPDR
Complex: ATP_A_8(3ATT) / Model_43(3ATT/A) = [4.7] Download1430.99-0.34MSGAAEIIEAILGESGPDYESYSFEETPGDTRSDSHFVTVEYQGESYEVVVKLAPEVDSTFAVEPFLHEYVAERTDVPLPGILVFKEEPEQDVPPYFITERIHGDNLDEHFESFSMDERGAIMFEIGEILGDMHSTIAFEGYGRLDLDDGRLIVRDLSWDWRAYFEELTQGHIDQLAETTFEDLQPTARERLADRLSVVPKQGTPRLVHDDFRPGNLLIEPDGPEISAVLDWEKTLAGDPLYNLAQIELLFIDSVFRDPDEREQLRERLYEGYGTETDFDADESYQACKPLYQFSTLVWRMAGFDSIYGDASPLARTRAEAYYREQFTNLARTLEPDR
Consensus
[pKd Mean = 4.30]
-1518
(s=87)
2
(s=2)
MSGAAEIIEAILGESGPDYESYSFEETPGDTRSDSHFVTVEYQGESYEVVVKLAPEVDSTFAVEPFLHEYVAERTDVPLPGILVFKEEPEQDVPPYFITERIHGDNLDEHFESFSMDERGAIMFEIGEILGDMHSTIAFEGYGRLDLDDGRLIVRDLSWDWRAYFEELTQGHIDQLAETTFEDLQPTARERLADRLSVVPKQGTPRLVHDDFRPGNLLIEPDGPEISAVLDWEKTLAGDPLYNLAQIELLFIDSVFRDPDEREQLRERLYEGYGTETDFDADESYQACKPLYQFSTLVWRMAGFDSIYGDASPLARTRAEAYYREQFTNLARTLEPDR