Study : Lmo0265 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: X8Z_A_2(4PQA) / Model_3(4PQA/A) = [3.1] Download766.25-5.78MDQQKKIQILKDLVNIDSTNGHEEQVANYLQKLLAEHGIESEKVQYDLDRASLVSEIGSSNEKVLAFSGHMDVVDAGDVSKWKFPPFEATEHEGKLYGRGATDMKSGLAAMVIAMIELHEEKQKLNGKIRLLATVGEEIGELGAEQLTQKGYADDLDGLIIGEPSGHRIVYAHKGSINYTVKSTGKNAHSSMPEFGVNAIDNLLLFYNEVEKFVKSIDATNEILGDFIHNVTVIDGGNQVNSIPEKAQLQGNIRSIPEMDNETVKQVLVKIINKLNKQENVNLELIFDYDKQPVFSDKNSDLVHIAKSVASDIVKEEIPLLGISGTTDAAEFTKAKKEFPVIIFGPGNETPHQVNENVSIGNYLEMVDVYKRIATEFLS
Complex: EDO_A_13(4OP4) / Model_10(4OP4/A) = [3.4] Download321.99-3.67MDQQKKIQILKDLVNIDSTNGHEEQVANYLQKLLAEHGIESEKVQYDLDRASLVSEIGSSNEKVLAFSGHMDVVDAGDVSKWKFPPFEATEHEGKLYGRGATDMKSGLAAMVIAMIELHEEKQKLNGKIRLLATVGEEIGELGAEQLTQKGYADDLDGLIIGEPSGHRIVYAHKGSINYTVKSTGKNAHSSMPEFGVNAIDNLLLFYNEVEKFVKSIDATNEILGDFIHNVTVIDGGNQVNSIPEKAQLQGNIRSIPEMDNETVKQVLVKIINKLNKQENVNLELIFDYDKQPVFSDKNSDLVHIAKSVASDIVKEEIPLLGISGTTDAAEFTKAKKEFPVIIFGPGNETPHQVNENVSIGNYLEMVDVYKRIATEFLS
Consensus
[pKd Mean = 3.25]
-544
(s=222)
-4
(s=1)
MDQQKKIQILKDLVNIDSTNGHEEQVANYLQKLLAEHGIESEKVQYDLDRASLVSEIGSSNEKVLAFSGHMDVVDAGDVSKWKFPPFEATEHEGKLYGRGATDMKSGLAAMVIAMIELHEEKQKLNGKIRLLATVGEEIGELGAEQLTQKGYADDLDGLIIGEPSGHRIVYAHKGSINYTVKSTGKNAHSSMPEFGVNAIDNLLLFYNEVEKFVKSIDATNEILGDFIHNVTVIDGGNQVNSIPEKAQLQGNIRSIPEMDNETVKQVLVKIINKLNKQENVNLELIFDYDKQPVFSDKNSDLVHIAKSVASDIVKEEIPLLGISGTTDAAEFTKAKKEFPVIIFGPGNETPHQVNENVSIGNYLEMVDVYKRIATEFLS