Study : PA0775 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SAI_A_5(1IM8) / Model_3(1IM8/A) = [9.1] Download848.4031.28MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP
Complex: GEK_B_5(4IWN) / Model_21(4IWN/B) = [9.6] Download1004.6739.70MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP
Complex: GEK_G_7(4GEK) / Model_20(4GEK/G) = [10.0] Download803.2242.49MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP
Complex: GEK_A_3(4IWN) / Model_2(4IWN/A) = [10.0] Download1221.6433.82MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP
Complex: GEK_A_4(4GEK) / Model_1(4GEK/A) = [10.4] Download703.6740.12MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP
Consensus
[pKd Mean = 9.82]
-916
(s=180)
37
(s=4)
MSESDRLFAQPQQRVADFVFNEDVVRVFPDMIKRSVPGYPTIVENIGVLGAQFAQPNSVLYDLGCSLGAVTQSLRRHVRNDGCRVIGVDNSHAMIERCSEYLHAQDAMYQELLPVELIEADILALDLQPTSLVAMNFTLQFVAPDQRLGLLRRIRQALLPGGALILSEKLRFADAQEHALLTDLHIAFKRANGYSELEIAQKRSALENVMLPDTFEEHRERLLAAGFSRVSQWFQCLNFASMIALP