Study : SA0793 (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: AMP_A_3(3DHV) / Model_3(3DHV/A) = [5.2] Download1126.2819.12MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Complex: ANP_A_3(4D4I) / Model_12(4D4I/A) = [6.4] Download1046.4925.94MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Complex: AMP_A_2(3E7X) / Model_2(3E7X/A) = [6.7] Download767.2322.21MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Complex: ATP_A_3(3FCC) / Model_5(3FCC/A) = [6.7] Download1054.5414.34MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Complex: AMP_A_6(4D57) / Model_14(4D57/A) = [6.7] Download831.8918.90MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Consensus
[pKd Mean = 6.34]
-965
(s=139)
20
(s=3)
MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKPMILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVFNTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGEPKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLASGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEEQYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQITQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAEVFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQLRQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSRLPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING