Study : Lmo1976 (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: NAP_B_6(4QED) / Model_66(4QED/B) = [8.0] Download2030.3524.97MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK
Complex: NAP_A_3(4QEC) / Model_65(4QEC/A) = [8.2] Download1762.1823.65MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK
Complex: NAP_B_6(3P19) / Model_42(3P19/B) = [8.3] Download1399.2012.68MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK
Complex: NAP_C_7(3P19) / Model_41(3P19/C) = [8.4] Download1055.7011.23MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK
Complex: NAP_B_7(4QEC) / Model_64(4QEC/B) = [8.5] Download1543.3623.65MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK
Consensus
[pKd Mean = 8.28]
-1558
(s=329)
19
(s=5)
MNPFLKNKTVLITGASNGLGAEIARQVAMSGGNVIITARSTKKLIELQKDIHDKFSVEATYFTLDMTDFEQVKQVSAEINASYQIDVLVNCAGFGLFENAIDIPFETIEKMFDTNVLGLIQLTQLILPQMQARKAGHIINIASQAAKIATPKSTVYSATKYAVLGFSNALRLELMPDKINVTTINPGPIATNFFDVADKSSNYLETVGKLVLKPEKVAHKTVQIMGTKRREINLPFVMNIATRLYQVMPQVIEFFGKGAFLKK