Study : bsu07060 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: SUGAR_A_3(2Z8S) / Model_4(2Z8S/A) = [3.4] Download--MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL
Complex: SUGAR_B_4(2Z8S) / Model_19(2Z8S/B) = [3.6] Download--MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL
Complex: RAM_A_16(2ZUX) / Model_32(2ZUX/A) = [3.6] Download564.46-8.15MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL
Complex: RAM_A_14(2ZUX) / Model_5(2ZUX/A) = [3.7] Download862.663.60MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL
Complex: GOL_A_12(4CAG) / Model_2(4CAG/A) = [3.8] Download736.56-5.75MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL
Consensus
[pKd Mean = 3.62]
-721
(s=122)
-3
(s=5)
MKPKKRQMEYLTRGLIAVQTEQGVFVSWRFLGTDHETTAFHLYRDGKRITRDPIAESTNFLDQNGTADSVYQVAAVNKGREEKLSKKARVWQENVLEVPLAKPEGGVTPDGKPYTYSANDASVGDIDGDGEYEMILKWDPSNSKDNAHDGYTGEVLIDAYKLDGTFLWRINLGRNIRAGAHYTQFMVYDLDGDGKAEIAMKTADGTTDGKGHIIGDEQADFRNEQGRILSGPEYLTVFKGETGEALTTVEYEPPRGKLEDWGDGYGNRMDRFLAGTAYLDGERPSLVMARGYYTRTVLVAYDFRNGRLKKRWVFDSNQPGHEAYAGQGNHSLSVADVDGDGKDEIIYGAMAVDHDGTGLYSTGLGHGDAMHVGDLDPSRKGLEVFQVHEDATKPYGLSLRDAGTGEILWGVHAGTDVGRGMAAHIDPSYKGSLVWGIDPPGNDGMSYGLFTSKGEKISDKAPSSANFAIWWDGDLVRELLDHDWDGTIGRPKIEKWDAENGCLKTIFQPAGVLSNNGTKGNPVLQANLFGDWREEVIWRTEDSSALRIYTTTHLTRHCFYTLMHDPVYRLGIAWQNTAYNQPPHTSFYLGTGMKKPPKPALYIAGSKAEAPL