Study : Lmo2525 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_A_3(1JCG) / Model_3(1JCG/A) = [7.0] Download839.0616.12MAKDVGIDLGTANVLIHVKGRGIVVNEPAVVAINNKTGQVLAVGTEARDMVGRTPGDITAIKPMKDGVIADFDIVQEMLRFFIQKLNLKTFFSRPRILICCPTNITSVEQKAIREVAEKSGGKQVFLEEEPKVAAIGAGMEIFEPSGNMIIDIGGGTADVAVLSMGDIVTSQSVKVAGNKWDADILNYVKRKYNLLIGERTAENIKVTIGTACQGAKEEKMEIRGRDLVSGLPKTISITSSEVEEAIHDSLHLMVLAAKQVLEQTPPELSADIIDRGIIMTGGGSLLHGLDELMSEQLKVPVLITENPLDVVALGTGILLDSLTNKKRNRF
Complex: ADP_A_3(4CZL) / Model_5(4CZL/A) = [7.4] Download860.4814.76MAKDVGIDLGTANVLIHVKGRGIVVNEPAVVAINNKTGQVLAVGTEARDMVGRTPGDITAIKPMKDGVIADFDIVQEMLRFFIQKLNLKTFFSRPRILICCPTNITSVEQKAIREVAEKSGGKQVFLEEEPKVAAIGAGMEIFEPSGNMIIDIGGGTADVAVLSMGDIVTSQSVKVAGNKWDADILNYVKRKYNLLIGERTAENIKVTIGTACQGAKEEKMEIRGRDLVSGLPKTISITSSEVEEAIHDSLHLMVLAAKQVLEQTPPELSADIIDRGIIMTGGGSLLHGLDELMSEQLKVPVLITENPLDVVALGTGILLDSLTNKKRNRF
Complex: ANP_B_6(4CZJ) / Model_21(4CZJ/B) = [8.6] Download948.3115.22MAKDVGIDLGTANVLIHVKGRGIVVNEPAVVAINNKTGQVLAVGTEARDMVGRTPGDITAIKPMKDGVIADFDIVQEMLRFFIQKLNLKTFFSRPRILICCPTNITSVEQKAIREVAEKSGGKQVFLEEEPKVAAIGAGMEIFEPSGNMIIDIGGGTADVAVLSMGDIVTSQSVKVAGNKWDADILNYVKRKYNLLIGERTAENIKVTIGTACQGAKEEKMEIRGRDLVSGLPKTISITSSEVEEAIHDSLHLMVLAAKQVLEQTPPELSADIIDRGIIMTGGGSLLHGLDELMSEQLKVPVLITENPLDVVALGTGILLDSLTNKKRNRF
Consensus
[pKd Mean = 7.67]
-882
(s=47)
15
(s=0)
MAKDVGIDLGTANVLIHVKGRGIVVNEPAVVAINNKTGQVLAVGTEARDMVGRTPGDITAIKPMKDGVIADFDIVQEMLRFFIQKLNLKTFFSRPRILICCPTNITSVEQKAIREVAEKSGGKQVFLEEEPKVAAIGAGMEIFEPSGNMIIDIGGGTADVAVLSMGDIVTSQSVKVAGNKWDADILNYVKRKYNLLIGERTAENIKVTIGTACQGAKEEKMEIRGRDLVSGLPKTISITSSEVEEAIHDSLHLMVLAAKQVLEQTPPELSADIIDRGIIMTGGGSLLHGLDELMSEQLKVPVLITENPLDVVALGTGILLDSLTNKKRNRF