Study : SA1974 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: GOL_A_3(4BMA) / Model_1(4BMA/A) = [3.2] Download371.8124.25MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI
Complex: GN1_A_3(2YQH) / Model_8(2YQH/A) = [4.1] Download995.6713.96MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI
Complex: GN1_B_4(2YQH) / Model_26(2YQH/B) = [4.5] Download897.9317.04MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI
Complex: UD1_A_3(1JV1) / Model_27(1JV1/A) = [7.5] Download1371.9621.56MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI
Complex: UD1_A_3(1JV1) / Model_51(1JV1/A) = [7.5] Download1315.2121.56MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI
Consensus
[pKd Mean = 5.36]		-990
(s=358)		19
(s=3)		MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEIEGVSLFELQANQLKTLNHQSGHTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPKPGESVGRLVNVDCKDTVLEYSELDPEVANQFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIEQPTLKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKDSVATATEDLRRMGLI