Study : bsu13260 (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: ADP_A_2(4JAU) / Model_5(4JAU/A) = [6.1] Download833.6223.23MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR
Complex: AN2_A_3(4U7O) / Model_87(4U7O/A) = [6.5] Download1013.6924.42MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR
Complex: AN2_A_3(4U7O) / Model_2(4U7O/A) = [6.5] Download927.3422.00MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR
Complex: ADP_A_7(3DGE) / Model_6(3DGE/A) = [6.7] Download755.9326.65MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR
Complex: ADP_A_2(2C2A) / Model_8(2C2A/A) = [7.8] Download1154.4026.76MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR
Consensus
[pKd Mean = 6.72]		-936
(s=139)		24
(s=1)		MKLKTKIHLYTSISLLILLILVHTAVYLIFSSALTSKDAARLADETDNIAEALRAAETEGVALQDMLQAYLPANGMVRVVNGDQKAVMTITKEKAYKDFPLSFHSGETADVRKPDGKLFAEAAVPVIWTDGQVVSLQLVERLENTEESLFLLKIILIAASAAVCIASFFAGSLLARRIINPIRRLMITMKDIQRDKEFKTISLEGQSNDELYQMGLTFNEMAMMLKEHYDKQQQFVQDASHELKTPLTIIESYSSLMKRWGAKKPEVLEESIEAIHSEAVHMKKLTNQLLALAKSHQGLEVDLKTIDLIKAARAVMQTLQSVYQRDILLETDKESLLVKADEERIKQLLTILLDNAIKYSEKPIEMSAGTRNGRPFLSVRDEGIGIPEEHIPHLFERFYRADEARNRKTGGTGLGLSIAKQIADEHGIELSVKSKPGQGTAVTMQFSEQNGGGR