Study : Lmo1726 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FMT_C_15(4NHE) / Model_21(4NHE/C) = [3.3] Download333.5320.10MKLGIMGTNWITDSFIEGAINSGEWNLTAVYSRTEEKARAFGEKYGELTYFTDIEEMGKSDALDAVYIASPNALHYQHAVSLLKNKKHVIVEKPIFSTVAELEHAHQIARENNVFLFEAARHIQEPNFKRLQENIEKVGTIHGATLAYMKYSSRYDQVLNGEEPNIFSLKFSGGSIVDLGVYPLYSAITLFGEPVKATYFATKLPTGVDGLGPIILEYPTFNITIIQGKNSQSFLPSEIYGQKGTLIVDPLTGIEKITFYDNATKEETELAGPVVANDMQFEAAEFARIIEQSDRDTYEYLADLSLKVLRVSNELRHQNDIWFDAEK
Complex: FMT_C_20(4NHE) / Model_21(4NHE/C) = [3.4] Download167.1310.75MKLGIMGTNWITDSFIEGAINSGEWNLTAVYSRTEEKARAFGEKYGELTYFTDIEEMGKSDALDAVYIASPNALHYQHAVSLLKNKKHVIVEKPIFSTVAELEHAHQIARENNVFLFEAARHIQEPNFKRLQENIEKVGTIHGATLAYMKYSSRYDQVLNGEEPNIFSLKFSGGSIVDLGVYPLYSAITLFGEPVKATYFATKLPTGVDGLGPIILEYPTFNITIIQGKNSQSFLPSEIYGQKGTLIVDPLTGIEKITFYDNATKEETELAGPVVANDMQFEAAEFARIIEQSDRDTYEYLADLSLKVLRVSNELRHQNDIWFDAEK
Complex: NAP_B_8(4NHE) / Model_22(4NHE/B) = [8.9] Download1791.6613.15MKLGIMGTNWITDSFIEGAINSGEWNLTAVYSRTEEKARAFGEKYGELTYFTDIEEMGKSDALDAVYIASPNALHYQHAVSLLKNKKHVIVEKPIFSTVAELEHAHQIARENNVFLFEAARHIQEPNFKRLQENIEKVGTIHGATLAYMKYSSRYDQVLNGEEPNIFSLKFSGGSIVDLGVYPLYSAITLFGEPVKATYFATKLPTGVDGLGPIILEYPTFNITIIQGKNSQSFLPSEIYGQKGTLIVDPLTGIEKITFYDNATKEETELAGPVVANDMQFEAAEFARIIEQSDRDTYEYLADLSLKVLRVSNELRHQNDIWFDAEK
Complex: NAP_C_14(4NHE) / Model_21(4NHE/C) = [9.1] Download1689.3613.15MKLGIMGTNWITDSFIEGAINSGEWNLTAVYSRTEEKARAFGEKYGELTYFTDIEEMGKSDALDAVYIASPNALHYQHAVSLLKNKKHVIVEKPIFSTVAELEHAHQIARENNVFLFEAARHIQEPNFKRLQENIEKVGTIHGATLAYMKYSSRYDQVLNGEEPNIFSLKFSGGSIVDLGVYPLYSAITLFGEPVKATYFATKLPTGVDGLGPIILEYPTFNITIIQGKNSQSFLPSEIYGQKGTLIVDPLTGIEKITFYDNATKEETELAGPVVANDMQFEAAEFARIIEQSDRDTYEYLADLSLKVLRVSNELRHQNDIWFDAEK
Consensus
[pKd Mean = 6.17]
-995
(s=748)
14
(s=3)
MKLGIMGTNWITDSFIEGAINSGEWNLTAVYSRTEEKARAFGEKYGELTYFTDIEEMGKSDALDAVYIASPNALHYQHAVSLLKNKKHVIVEKPIFSTVAELEHAHQIARENNVFLFEAARHIQEPNFKRLQENIEKVGTIHGATLAYMKYSSRYDQVLNGEEPNIFSLKFSGGSIVDLGVYPLYSAITLFGEPVKATYFATKLPTGVDGLGPIILEYPTFNITIIQGKNSQSFLPSEIYGQKGTLIVDPLTGIEKITFYDNATKEETELAGPVVANDMQFEAAEFARIIEQSDRDTYEYLADLSLKVLRVSNELRHQNDIWFDAEK