Study : PA4907 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: NAP_B_6(3P19) / Model_37(3P19/B) = [12.6] Download1147.1615.71MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
Complex: NAP_C_7(3P19) / Model_36(3P19/C) = [12.8] Download1192.6715.09MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
Complex: NDP_C_9(2JAP) / Model_31(2JAP/C) = [13.3] Download1184.9520.80MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
Complex: NAP_D_8(3P19) / Model_35(3P19/D) = [13.4] Download1231.4111.63MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
Complex: NDP_A_5(2JAP) / Model_6(2JAP/A) = [13.4] Download1059.8822.15MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
Consensus
[pKd Mean = 13.10]
-1163
(s=58)
17
(s=3)
MSSTLFITGATSGFGEACARRFAEAGWSLVLTGRREERLQALAGELSAKTRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES