Study : D3Q5J5_STANL (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: GNP_C_13(5IQI) / Model_71(5IQI/C) = [3.9] Download1554.7714.73MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG
Complex: ANP_A_3(3W0S) / Model_78(3W0S/A) = [4.1] Download1664.239.67MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG
Complex: ADP_A_2(4DCA) / Model_76(4DCA/A) = [4.1] Download1311.188.86MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG
Complex: AMP_A_3(4R78) / Model_83(4R78/A) = [4.4] Download1225.0123.48MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG
Complex: ADP_A_6(2OLC) / Model_86(2OLC/A) = [4.4] Download1133.1914.87MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG
Consensus
[pKd Mean = 4.18]
-1377
(s=200)
14
(s=5)
MRSDEASRFLAELGIADDSVTPITGGWASWTFATGSGRILRVARNPEIDAAHRRESRLLPELAEAVSFAVPAPTHFGVHKGMTYMVYPRLPGRGLEPGDRVRAVAPMLAELHAFPVDRAAELLGCAVTAEAWRDDYLEIGKWVEGEVLPVLDGELRDRVRREYDATLPDLAAISPALIHRDLGCEHILTDPETGMPTGIIDFETATVGDPAIDYVGLLVTFGEQVTRELIAASGSEISWRLVRFYHWLGAAHAVKYGLAERDDAIVADGIEGLRRRLPG