Study : Lmo1014 (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: ADP_A_3(3TIF) / Model_88(3TIF/A) = [4.1] Download711.69-6.00LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA
Complex: ADP_B_8(3TIF) / Model_87(3TIF/B) = [4.1] Download682.74-6.00LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA
Complex: ANP_K_6(3C41) / Model_69(3C41/K) = [4.2] Download1598.85-5.84LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA
Complex: AGS_B_6(3C4J) / Model_71(3C4J/B) = [4.3] Download1209.98-2.33LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA
Complex: ATP_A_5(1L2T) / Model_86(1L2T/A) = [4.3] Download698.60-6.00LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA
Consensus
[pKd Mean = 4.20]
-980
(s=367)
-5
(s=1)
LSKIKVEELTKIFGKKASKASSLLSQGKSKTDILKETGATIGVNKASFSVEEGEIFVIMGLSGSGKSTLVRLLNRLIEPTSGKIWLDGKELSSLNKKELLEVRRKSMSMVFQNFGLFPNRTINRNVEYGLEIQGMDKEEREKNAAESLALVGLAGYGDQYPSQLSGGMQQRVGLARALANNPDILLMDEAFSALDPLNRKDMQDQLLDLQDKMKKTIIFITHDLDEALRIGDHIMIMRDGSVVQTGSPEEILAHPANEYVEKFIEDVDRSKVYTASNVMIRPEIVNFEKDGPRVALKRMREAGTSSVFVVKRNRELVGIVHAAEVSKLVKENITSLETALHRDVPTTGLDTPLAEIMDTISTTTIPIAVTEDGKLKGIIIRGSVLAALSGNEVNVNA