Study : Wbm0753 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: TUI_A_8(2Z6J) / Model_1(2Z6J/A) = [6.4] Download1273.8934.88MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS
Complex: TUI_B_10(2Z6J) / Model_21(2Z6J/B) = [6.8] Download1996.8437.13MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS
Complex: FMN_B_9(2Z6J) / Model_21(2Z6J/B) = [7.5] Download875.5226.71MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS
Complex: FMN_A_7(2Z6J) / Model_1(2Z6J/A) = [8.0] Download822.4626.29MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS
Complex: FMN_A_9(2Z6I) / Model_3(2Z6I/A) = [9.7] Download799.4324.65MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS
Consensus
[pKd Mean = 7.68]
-1153
(s=455)
29
(s=5)
MLSNLWKKGTDFLGSEFAIMGGAMSWVSERNLVSAISNAGGFGVIACGAMSSDLLEKEIIETQKLTNKPFGVNLITMHPNLSELIDVCIETKVSHIVLAGGLPVKPNIEKIKNVGIEVMCFAPSLSLAKRLVKMGVDALIIEGMEAGGHIGPVSTSVLSQEILPYFKDERVPVFVAGGIGRGEMIVNYLEMGASGCQIGTLFVCTNESIAHKNFKEVFIKSAARDAISSVQISADFPVIPVRAIANKASDDFMQYQKEIIDKYHKGQISKEDGQLEIEKFWAGALRGAVIEGDIETGSLMAGQSVGMVDKEKPVKEVIDILIQQASNYIESKSVKVGDLIISKASS