Study : SA1940 (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: 6MP_O_15(1OU4) / Model_100(1OU4/B) = [3.3] Download897.48-2.76MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
Complex: 6MP_O_15(1OTY) / Model_103(1OTY/B) = [3.4] Download525.05-2.76MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
Complex: 6MP_M_13(1OTY) / Model_102(1OTY/C) = [3.5] Download576.42-2.76MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
Complex: 6MP_Q_17(1OU4) / Model_99(1OU4/C) = [3.5] Download491.040.11MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
Complex: 6MP_M_13(1OU4) / Model_101(1OU4/A) = [3.5] Download450.866.00MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE
Consensus
[pKd Mean = 3.44]
-588
(s=160)
0
(s=3)
MTKGTPHIQPNGVKIAKTVLMPGDPLRAKYIADNFLENVEQFNDVRNMFGYTGTYKGKEVSVMGSGMGIPSIGIYSYELYNFFDVDTIIRIGSCGALQENVNLYDVIIAQAASTNSNYVDQYNIPGHFAPIADFELVTKAKNVADQIGATTHVGNVLSSDTFYNADPTFNDAWKKMGILGIEMESAGLYLNAIHAGKKALGIFTVSDHILRDEATTPEERQNSFTQMMEIALEIAE