Study : bsu24310 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: IMD_B_7(3L07) / Model_21(3L07/B) = [3.7] Download608.6248.33MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS
Complex: L37_A_6(1DIG) / Model_10(1DIG/A) = [3.8] Download1892.4433.87MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS
Complex: IMD_A_4(3L07) / Model_2(3L07/A) = [3.8] Download723.1450.46MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS
Complex: IMD_A_4(3L07) / Model_49(3L07/A) = [3.8] Download648.5150.46MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS
Complex: L24_A_5(1DIA) / Model_8(1DIA/A) = [3.9] Download2184.2235.86MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS
Consensus
[pKd Mean = 3.80]
-1211
(s=682)
43
(s=7)
MTATIIDGKETAREKREQLAKEVEELKKQGVTPGLAVILIGDDPASHSYVRGKKKAAETMGMNFKLDQFDSSLTEAELLSIIDQYNQDPEFHGILVQLPLPDHISEKAVIERISPDKDVDGFHPLNVGKMLLGEDTFLPCTPHGIVELLKKTNIDLSGKEVVVVGRSNIVGKPVGQLLLNENATVTYCHSRTENITEHTKKADILVVAVGRANFISADQIKEGAVVIDVGVNRLENGKLCGDVEFEGAKEKASFITPVPGGVGPMTITMLAHNTVKSAKRTLS