Study : Lmo1834 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FAD_B_4(1EP3) / Model_52(1EP3/B) = [9.3] Download613.1718.45VLQTEMKVIQQTEIADKVYELILTGECVAGMSPGQFLMLKPSRSDLLMRRPISICSYDKTAKTCILLYRVEGDGTRDFSKLSEGDTIDVLGPLGKGFDIDTTPAPKTALLIGGGIGVPPMYQLGKELAEKGVQVMFVNGFQSAKDSFYAQEMAEYGTVHIATVDGSLGTQGFVTDITKNFPEEPDVIYSCGPKAMLQAVKASFPETKTYLSLEERMACGIGACYACVCPKADDTNKQFKVCEDGPVFRADEVKL
Complex: FAD_B_4(1EP3) / Model_29(1EP3/B) = [9.8] Download604.2017.83VLQTEMKVIQQTEIADKVYELILTGECVAGMSPGQFLMLKPSRSDLLMRRPISICSYDKTAKTCILLYRVEGDGTRDFSKLSEGDTIDVLGPLGKGFDIDTTPAPKTALLIGGGIGVPPMYQLGKELAEKGVQVMFVNGFQSAKDSFYAQEMAEYGTVHIATVDGSLGTQGFVTDITKNFPEEPDVIYSCGPKAMLQAVKASFPETKTYLSLEERMACGIGACYACVCPKADDTNKQFKVCEDGPVFRADEVKL
Consensus
[pKd Mean = 9.55]
-608
(s=4)
18
(s=0)
VLQTEMKVIQQTEIADKVYELILTGECVAGMSPGQFLMLKPSRSDLLMRRPISICSYDKTAKTCILLYRVEGDGTRDFSKLSEGDTIDVLGPLGKGFDIDTTPAPKTALLIGGGIGVPPMYQLGKELAEKGVQVMFVNGFQSAKDSFYAQEMAEYGTVHIATVDGSLGTQGFVTDITKNFPEEPDVIYSCGPKAMLQAVKASFPETKTYLSLEERMACGIGACYACVCPKADDTNKQFKVCEDGPVFRADEVKL