Study : PA4068 (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: GOL_A_5(4ZRM) / Model_3(4ZRM/A) = [3.5] Download316.3320.17MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR
Complex: GOL_B_7(4ZRM) / Model_25(4ZRM/B) = [3.8] Download399.0321.27MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR
Complex: UPG_E_5(1SB9) / Model_14(1SB9/A) = [6.2] Download1299.8432.89MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR
Complex: UD2_E_5(1SB8) / Model_13(1SB8/A) = [8.1] Download1172.1730.05MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR
Complex: UD2_E_5(1SB8) / Model_115(1SB8/A) = [8.1] Download1164.5030.05MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR
Consensus
[pKd Mean = 5.94]
-870
(s=422)
26
(s=5)
MFERPILITGGAGFIGSHLTDALLARGYRVRVLDNLSTGKRDNLPLDDERVELLEGDAADAATLAAALKGCAAVAHLAAVASVQASVDDPVATHQSNFIATLNLCEAMREQGVKRVVFASSAAVYGQNGEGTAIDEDTPKSPLTPYASDKLASEYYLDFYRRQHGLEPAIFRFFNVYGPRQDPSSPYSGVISIFTERALKGTPITVFGDGEQTRDFIYVADLVDFLVQALEATAVEPGAVNVGLNRSISLKQLLAEIGQVLGGLPPVTHADARAGDIRHSRANNERLLRRFRFDQPTPMGVGLARLLGR