Study : jhp_1049 (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: NACID_C_1(2FLC) / Model_5(2FLC/A) = [3.2] Download--MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG
Complex: NACID_C_1(2FKC) / Model_2(2FKC/A) = [8.9] Download--MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG
Complex: NACID_E_3(2FLC) / Model_5(2FLC/A) = [10.3] Download--MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG
Complex: NACID_D_2(2FL3) / Model_4(2FL3/A) = [11.3] Download--MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG
Complex: NACID_F_2(2FKH) / Model_3(2FKH/B) = [11.5] Download--MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG
Consensus
[pKd Mean = 9.04]
-0
(s=0)
0
(s=0)
MNNHTSSFGSFIAKNGFLNEKEVAQKFNDYIHDRDAQIWLMIMGYDLNKIEYVKANVLSGYKADVNVIIQIKMKQTLDSENLQVKLVSNLKGFNQIDKRKLRSYQEMWNIPPNIYQLFAYFTGELKPTRQDIKYPNKRMLAYEFTNKEQQELLAWLNDNKMLIVSDILKGRGEFSAEWVLVIQKINLNMKWALKNINEVMQHYLDDGIVEISKKGSLKIGRITIQRKGGDNGRESANMLQFKIDPTGLLG