Study : PA0773 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: PXP_U_21(1HO4) / Model_37(1HO4/B) = [3.1] Download549.92-4.52MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR
Complex: G3P_I_9(1IXO) / Model_6(1IXO/A) = [3.3] Download444.74-5.18MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR
Complex: G3P_M_13(1IXO) / Model_30(1IXO/C) = [3.3] Download552.52-9.32MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR
Complex: DXP_I_9(1IXN) / Model_5(1IXN/A) = [3.6] Download572.09-7.18MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR
Complex: G3P_Q_17(1IXO) / Model_30(1IXO/C) = [3.7] Download706.18-15.42MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR
Consensus
[pKd Mean = 3.40]
-565
(s=83)
-8
(s=3)
MTEATRILLGVNIDHVATLRQARGTRYPDPVKAALDAEEAGADGITVHLREDRRHIQERDVRVLKEVLQTRMNFEMGVTEEMLAFAEEIRPAHSCLVPERREELTTEGGLDVAGQEQRIRDAVRRLAAVGSEVSLFIDPDPRQIEASARVGAPAIELHTGRYADAEDPEEQARELQRVREGVALGRSLGLIVNAGHGLHYHNVEPVAAIDGINELNIGHAIVAHALFVGFRQAVAEMKALMLAAATKR