| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_D_6(4FD2) / Model_25(4FD2/D) = [5.6]
| Download | 1049.99 | 20.32 | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
| Complex: ADP_B_5(4FD2) / Model_26(4FD2/B) = [6.0]
| Download | 1053.38 | 17.04 | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
| Complex: ADP_A_4(4FCV) / Model_20(4FCV/A) = [6.7]
| Download | 939.38 | 16.36 | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
| Complex: ADP_A_2(4LJ5) / Model_13(4LJ5/A) = [6.9]
| Download | 1161.72 | 13.26 | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
| Complex: ADP_A_4(4FD2) / Model_18(4FD2/A) = [6.9]
| Download | 1115.58 | 20.32 | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
Consensus
[pKd Mean = 6.42] | - | 1064
(s=74) | 17
(s=2) | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |