Study : Lmo0667 (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: IPA_A_6(3TIF) / Model_35(3TIF/B) = [3.1] Download146.3545.25MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV
Complex: ADP_B_6(2HYD) / Model_60(2HYD/B) = [3.2] Download1004.7615.23MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV
Complex: ADP_A_5(2HYD) / Model_61(2HYD/A) = [3.4] Download863.3715.23MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV
Complex: ATP_A_6(4YMV) / Model_27(4YMV/A) = [3.7] Download1094.3812.00MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV
Complex: ATP_J_5(4YMV) / Model_10(4YMV/J) = [3.9] Download1283.1921.35MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV
Consensus
[pKd Mean = 3.46]
-878
(s=390)
21
(s=12)
MTYALEIKGLRKIYSTGVEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDTDIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNESGTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV