Study : Wbm0770 (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: CHAIN_F_6(3QO6) / Model_35(3QO6/C) = [3.1] Download--MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK
Complex: CHAIN_G_7(3PV3) / Model_33(3PV3/C) = [3.2] Download--MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK
Complex: CHAIN_D_4(3QO6) / Model_67(3QO6/A) = [3.5] Download--MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK
Complex: CHAIN_D_4(3QO6) / Model_18(3QO6/A) = [3.6] Download--MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK
Complex: CHAIN_Z_25(3STJ) / Model_13(3STJ/A) = [4.1] Download--MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK
Consensus
[pKd Mean = 3.50]		-0
(s=0)		0
(s=0)		MKSKVLSIFACFLISFSSYANMFDWGTRKVSDTNTYVCNCNQGLADLVEELIPAVVNISSEQIIKQENNNRTKTPSFAPRNNFFDDFREFFEHFDQFFTDRNPSINREVVLLGSGFIIDKSGTIVTNYHVIKNAQDITVTMNDNTYFKAEVLGYDARTDLAVLKIKADKDLSFVTFSNSDKARVGDTVMAIGNPFGLGGSVSTGIISARSRDISIGTTSEFIQTDAAINRGNSGGPLFDLNGKVIGINTAIYSPSESGGNVGIGFAIPSNLAISIIDTLKSGKKIKHGWLGVQVQPITREFAESLGLKDVKGALVANIVKDSPAEKGGIKVGDILLEFDGKKIDRMTQLPQMVSRTEPGKKVQIKLLRKGKEVNVKVVIEESVNDSKDSNTEENRSISDYITGLTVSNLPKEPKESKNDTPIKGVIVTNVDSNSNATLRGIKKGDIIIQLDGVDIENTENFQKQVDLAIKKSGKDSIMLLIYRNGNQFFTSIKLKK