Study : Lmo2117 (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: COA_D_8(1YVK) / Model_21(1YVK/D) = [5.0] Download2106.8121.36MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS
Complex: COA_C_7(1YVK) / Model_22(1YVK/C) = [5.2] Download1852.9221.06MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS
Complex: COA_B_6(1YVK) / Model_23(1YVK/B) = [5.8] Download2283.8422.79MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS
Complex: COA_A_5(1YVK) / Model_59(1YVK/A) = [7.3] Download1750.6212.47MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS
Complex: COA_A_5(1YVK) / Model_2(1YVK/A) = [7.4] Download1816.5512.87MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS
Consensus
[pKd Mean = 6.14]
-1962
(s=201)
18
(s=4)
MNWTIWDKSQKVPYTLLLEADPSEKQIAKYLDKSHVFQLMHDDIVIGIICLFPLNNDQLEIMNIAVSSDYRNQGIGKKLLEKAFDYAIHKHFIKIIVKTGNSSIDQLAFYQKNGFRMQHIIPNYFTENYPNQTITENGIVCLDQIILLKEIKS