Study : gbs1158 (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: NDP_A_5(2JAH) / Model_6(2JAH/A) = [12.5] Download1058.2317.32MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD
Complex: NDP_C_9(2JAP) / Model_30(2JAP/C) = [12.9] Download1094.0819.30MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD
Complex: NDP_A_5(2JAP) / Model_5(2JAP/A) = [13.0] Download1076.8319.30MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD
Complex: NDP_B_7(2JAP) / Model_31(2JAP/B) = [13.2] Download1098.9519.46MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD
Complex: NDP_D_11(2JAP) / Model_29(2JAP/D) = [13.3] Download1079.1219.30MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD
Consensus
[pKd Mean = 12.98]
-1081
(s=14)
18
(s=1)
MISRKVALVTGASAGFGAAIVTKLVSDGYSVIGCARRMDKLKCFGEKFSEGYFYPLQMDITSRESVDKALESLPKNLQSIDLLVNNAGLALGLDKSYEADFEDWMTMINTNVVGLIYLTRCILPKMVEVNRGLIINLGSTAGTIPYPGANVYGASKAFVKQFSLNLRADLAGTKIRVTNLEPGLCEGTEFSTVRFKGDHKRVEKLYEGAHAIQAEDIANTVSWVASQPEHININRIEIMPVSQTYGPQPVYRD