Study : bsu29710 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: B3N_A_5(3MZ7) / Model_78(3MZ7/A) = [3.1] Download789.3014.84MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK
Complex: B3N_A_5(3EW8) / Model_77(3EW8/A) = [3.1] Download719.9220.10MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK
Complex: L6G_A_3(4RN0) / Model_55(4RN0/A) = [3.3] Download1183.1814.05MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK
Complex: B3N_A_6(3MZ4) / Model_81(3MZ4/A) = [3.3] Download921.8513.58MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK
Complex: L7G_B_10(4RN2) / Model_50(4RN2/B) = [3.3] Download1162.1817.48MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK
Consensus
[pKd Mean = 3.22]
-955
(s=189)
16
(s=2)
MRDSVFIYSPSYQTYMFHQEHPFNQQRVLLTYDLLKTINAFDDGDIVTPRLASEEELSLVHTDDYIQAVKLAGAGKLPAEEGESYGLGTEDTPVFAGMHEAASLLVGGTLTAADWVMSGQALHAANLGGGLHHGFRGRASGFCIYNDSAVAIQYIQKKYSARVLYIDTDAHHGDGVQFTFYDNPDVCTLSIHETGRYLFPGTGQIQEKGSGKGYGYSFNIPLDAFTEDDSFLEAYRTAASEVAAYFEPDVIISQNGADAHYYDPLTHLSATINIYEEIPRLAHTLAHQYCGGKWIAVGGGGYDIWRVVPRAWARIWLEMKGIDPGHEIPPEWIVKWQKQCPVALPSSWSDPADLYPPIPRKPEITEKNAQTVSKALYAIRSEQQRTK