Study : PA4170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: FAD_B_10(4JNA) / Model_23(4JNA/B) = [13.1] Download381.2817.86MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR
Complex: FAD_B_9(4JN9) / Model_24(4JN9/B) = [13.2] Download495.6226.55MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR
Complex: FAD_B_10(4NTE) / Model_22(4NTE/B) = [13.2] Download507.2019.88MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR
Complex: FAD_A_3(4NTE) / Model_2(4NTE/A) = [13.3] Download573.2821.34MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR
Complex: FAD_A_5(4JNA) / Model_3(4JNA/A) = [13.3] Download516.3415.67MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR
Consensus
[pKd Mean = 13.22]
-494
(s=62)
20
(s=3)
MKLTLFRDYPNGRYAMTFDVIIVGGSYAGISAGMQLARARRRVLVMDTGLRRNRFARASHGFLGQDGRDPAAIADDARAQLLAYPSVEWLSEAAVAAKKEADGFVVKAANGERFTARRLILASGVADELPEIPGLAERWGRHVFHCPYCHGYELDGGPIGVLAASPLAIHHALMLPDWGATTFFLNGVFEPDAEQMSRLDRRGVTIEREAVVALGGARADVTLASGRTITLAGLFTQPRTRMASPLAALLGCEFEDGPSGPFIRTDGMRETSVPGVFACGDAALAAGNVAIAVGDGARTGGAAHHSLLFR