Study : bsu12890 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: UDP_C_9(5EKE) / Model_21(5EKE/C) = [3.3] Download978.2916.47MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS
Complex: UDP_D_11(5EKP) / Model_17(5EKP/D) = [3.7] Download497.7919.67MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS
Complex: UDP_B_7(5EKE) / Model_22(5EKE/B) = [3.8] Download1125.6517.85MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS
Complex: UDP_C_5(5EKP) / Model_1(5EKP/C) = [3.8] Download794.4516.47MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS
Complex: UDP_A_5(5EKE) / Model_23(5EKE/A) = [4.0] Download1120.7210.13MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS
Consensus
[pKd Mean = 3.72]
-903
(s=236)
16
(s=3)
MSRHIQYSIVVPVYNEELVIHETYQRLKEVMDQTKENYELLFVNDGSKDRSIEILREHSLIDPRVKIIDFSRNFGHQIAITAGMDYAQGNAIVVIDADLQDPPELILEMIEKWKEGYEVVYAVRTKRKGETFFKKQTAAMFYRLLSGMTDIDIPIDTGDFRLMDRKVCDEMKRLKEKNPFVRGLVSWVGFKQTAVEYVRDERLAGETKYPLKKMLKLSMDGITTFSHKPLKLASYAGILMSGTGFLYMFIVLYLKLFTDSTITGWSSLIVIQLLFSGIVLLILGVIGEYIGRIYDEAKDRPLYIVQKSYGIENKRLYRDQHMS