Study : Lmo0957 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: PGA_B_4(2BKV) / Model_24(2BKV/B) = [3.2] Download572.8314.25MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
Complex: FGS_A_4(2WU1) / Model_14(2WU1/A) = [3.2] Download731.0113.68MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
Complex: GLP_B_4(2RI1) / Model_22(2RI1/B) = [3.4] Download825.1119.17MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
Complex: GLP_A_3(2RI1) / Model_2(2RI1/A) = [3.7] Download871.7918.71MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
Complex: F6R_B_4(2BKX) / Model_23(2BKX/B) = [4.4] Download607.2618.46MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
Consensus
[pKd Mean = 3.58]
-721
(s=117)
16
(s=2)
MQLITTENKLAGSKKALEIIEKGITSGEVNTLGLATGSTPETLYAELVKSDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAFKESFLPNGEATDAEAECARYEEILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFEREEDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL