Study : SA2098 (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: 3CR_A_3(4U6Q) / Model_41(4U6Q/A) = [3.4] Download897.3415.47MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN
Complex: ACY_C_3(1MX3) / Model_43(1MX3/A) = [4.0] Download278.6011.50MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN
Complex: NAP_B_8(2DBZ) / Model_21(2DBZ/B) = [5.9] Download1871.0319.52MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN
Complex: NDP_K_11(2GCG) / Model_32(2GCG/B) = [5.9] Download1828.0717.85MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN
Complex: NAP_A_7(2DBZ) / Model_2(2DBZ/A) = [6.1] Download1810.0818.87MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN
Consensus
[pKd Mean = 5.06]
-1337
(s=642)
16
(s=2)
MEKVYVAGAIPEVGLKLLQEHFEVEMYEGKGLVDKDTLIKGVKNATALISLLSTNVDKDVIDAGKDLKIIANYGAGFNNIDIEYAREKSIDVTNTPKASTNATADLTIGLVLAVARRIVEGDQLSRTTGFDGWAPLFFRGREVSGKTIGIIGLGEIGSAVARRARAFDMDVLYTGPNRKEEKEREIGAKYVDLDTLLKNADFITINAAYNPKMHHLIDTEQFKMMKSTVYLINASRGPIVHEQALVQALKDNEIEGAALDVYEFEPDITDDLKSLNNVVLTPHIGNATFEARDMMSKIVANAAISAVQGEKPQFVVN