Study : bsu10500 (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: EDO_A_4(2QA1) / Model_7(2QA1/A) = [3.2] Download545.1340.31MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV
Complex: FAD_A_3(2QA2) / Model_112(2QA2/A) = [8.2] Download984.5218.58MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV
Complex: FAD_A_3(2QA2) / Model_5(2QA2/A) = [8.2] Download974.4718.58MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV
Complex: FAD_B_7(4X4J) / Model_25(4X4J/B) = [10.7] Download819.6115.79MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV
Complex: FAD_A_3(4K5R) / Model_3(4K5R/A) = [11.4] Download1370.8721.11MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV
Consensus
[pKd Mean = 8.34]
-938
(s=268)
22
(s=8)
MMMKYEAVIIGGGPVGFMLASELAIAGVGTCVIERLEKPVPHSKALTLHPRTLELLEMRGILERFVSKGSKIPTGHFSMLDTRLDFSGLDTSCPYTLLLPQSKTEKLLEDHARSLGTEVFRGAEALAVTQNGEAVQTIFKDRDGSVRTITSKFAVGADGAGSTVRKQAKIEFPGTDSTVTAALGDVVLLSPPPSGVLSLCTKEGGVMIVPLSPDRYRVVVISPYRTQTPKDVPVTEEELKADLLRICGTDFGLTDPSWMSRFGNAARQAKRYRDGRIFLAGDAAHIHFPAGGQGLNVGLQDAMNLGWKLAAAIKGSAPSWLLDSYHDERHPAAEGLLRNTEAQTKLIDFTQAGLHLRSMMSELLAFPDVNRYVAGQISALDVRYEADRTMPPNRLNGARLPDMKLILSDGNSERLYSFLQNGTFVLLSLRQEADDHIEVKGLRTVTASLAEPNEKLRNVHTILIRPDGHVAWAVDASAPDCSEVIQKGISRWFSVTSRV