Study : PF00089_TRYB1_RAT (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: APA_D_8(1A0L) / Model_29(1A0L/D) = [3.2] Download510.898.55MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
Complex: 270_E_5(2FPZ) / Model_10(2FPZ/A) = [3.2] Download221.649.83MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
Complex: BEN_B_2(2OQ5) / Model_78(2OQ5/A) = [3.2] Download413.829.83MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
Complex: APA_A_5(1A0L) / Model_4(1A0L/A) = [3.3] Download730.699.96MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
Complex: CHAIN_F_4(2F9P) / Model_26(2F9P/B) = [3.4] Download--MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
Consensus
[pKd Mean = 3.26]
-469
(s=183)
9
(s=0)
MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF