Study : SA0104 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PMP_A_3(3AV7) / Model_5(3AV7/A) = [4.8] Download408.339.15MKIPPQRQLAIQYNVNRVTIIKSIELLEAEGFIYTKVGSGTYVNDYLNEAHITNKWSEMMLWSSQQRSQYTVQLINKIETDDSYIHISKGELGISLMPHIQLKKAMSNTASHIEDLSFGYNNGYGYIKLRDIIVERMSKQGINVGRENVMITSGALHAIQLLSIGFLGQDAIIISNTPSYIHSTNVFEQLNFRHIDVPYNQINEINTIIDRFINFKNKAIYIEPRFNNPTGRSLTNEQKKNIITYSERHNIPIIEDDIFRDIFFSDPTPAIKTYDKLGKVIHISSFSKTIAPAIRIGWIVASEKIIEQLADVRMQIDYGSSILSQMVVYEMLKNKSYDKHLVKLRYVLKDKRDFMLNILNNLFKDIAHWEVPSGGYFVWLVFKIDIDIKYLFYELLSKEKILINPGYIYGSKEKSIRLSFAFESNENIKHALYKIYTYVKKV
Complex: PMP_A_3(3WX9) / Model_6(3WX9/A) = [4.9] Download420.8111.26MKIPPQRQLAIQYNVNRVTIIKSIELLEAEGFIYTKVGSGTYVNDYLNEAHITNKWSEMMLWSSQQRSQYTVQLINKIETDDSYIHISKGELGISLMPHIQLKKAMSNTASHIEDLSFGYNNGYGYIKLRDIIVERMSKQGINVGRENVMITSGALHAIQLLSIGFLGQDAIIISNTPSYIHSTNVFEQLNFRHIDVPYNQINEINTIIDRFINFKNKAIYIEPRFNNPTGRSLTNEQKKNIITYSERHNIPIIEDDIFRDIFFSDPTPAIKTYDKLGKVIHISSFSKTIAPAIRIGWIVASEKIIEQLADVRMQIDYGSSILSQMVVYEMLKNKSYDKHLVKLRYVLKDKRDFMLNILNNLFKDIAHWEVPSGGYFVWLVFKIDIDIKYLFYELLSKEKILINPGYIYGSKEKSIRLSFAFESNENIKHALYKIYTYVKKV
Consensus
[pKd Mean = 4.85]
-414
(s=6)
10
(s=1)
MKIPPQRQLAIQYNVNRVTIIKSIELLEAEGFIYTKVGSGTYVNDYLNEAHITNKWSEMMLWSSQQRSQYTVQLINKIETDDSYIHISKGELGISLMPHIQLKKAMSNTASHIEDLSFGYNNGYGYIKLRDIIVERMSKQGINVGRENVMITSGALHAIQLLSIGFLGQDAIIISNTPSYIHSTNVFEQLNFRHIDVPYNQINEINTIIDRFINFKNKAIYIEPRFNNPTGRSLTNEQKKNIITYSERHNIPIIEDDIFRDIFFSDPTPAIKTYDKLGKVIHISSFSKTIAPAIRIGWIVASEKIIEQLADVRMQIDYGSSILSQMVVYEMLKNKSYDKHLVKLRYVLKDKRDFMLNILNNLFKDIAHWEVPSGGYFVWLVFKIDIDIKYLFYELLSKEKILINPGYIYGSKEKSIRLSFAFESNENIKHALYKIYTYVKKV