Study : Lmo0877 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GLP_B_4(2RI1) / Model_24(2RI1/B) = [3.3] Download1029.5519.58MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
Complex: GLP_A_3(2RI1) / Model_15(2RI1/A) = [3.4] Download958.4518.14MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
Complex: F6R_A_3(2BKX) / Model_38(2BKX/A) = [3.8] Download699.5124.42MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
Complex: F6R_B_4(2BKX) / Model_21(2BKX/B) = [3.8] Download604.2824.42MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
Complex: F6R_A_3(2BKX) / Model_2(2BKX/A) = [3.8] Download684.0324.42MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
Consensus
[pKd Mean = 3.62]
-795
(s=167)
22
(s=2)
MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA