Study : jhp_0029 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: ADP_D_6(4FD2) / Model_25(4FD2/D) = [5.6] Download1049.9920.32MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
Complex: ADP_B_5(4FD2) / Model_26(4FD2/B) = [6.0] Download1053.3817.04MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
Complex: ADP_A_4(4FCV) / Model_20(4FCV/A) = [6.7] Download939.3816.36MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
Complex: ACP_A_2(4LJ9) / Model_15(4LJ9/A) = [6.9] Download1247.0610.82MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
Complex: ADP_A_4(4FD2) / Model_18(4FD2/A) = [6.9] Download1115.5820.32MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
Consensus
[pKd Mean = 6.42]
-1081
(s=100)
16
(s=3)
MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF