2gbi A 3.3 BS01 XIH A 1 R123 E203 E204 Y548 S631 Y632 Y663 V712 R86 E166 E167 Y511 S594 Y595 Y626 V675 Y548 S631 Y632 D709 H741 Y511 S594 Y595 D672 H704 3.4.14.5 0001618,0001662,0001666,0002020,0002337,0002709,0002717,0004177,0004252,0005102,0005518,0005576,0005886,0006508,0007155,0008236,0008239,0008284,0009986,0010716,0016324,0030027,0030139,0030163,0031258,0031295,0033632,0035641,0036343,0042110,0042277,0042802,0042803,0042995,0043542,0045121,0045499,0046581,0046718,0050919,0070161,0090024 -logKd/Ki=8.52, Ki=3nM Ki=3nM P14740 16768443 901 RRTYTLADYLKNTFRVKSYSLRWVSDSEYLYKQENNILLFNAEHGNSSIFLENSTFEIFGDSISDYSVSPDRLFVLLEYNYVKQWRHSYTASYSIYDLNKRQLITEEKIPNNTQWITWSQEGHKLAYVWKNDIYVKIEPHLPSHRITSTGKENVIFNGINDWVYEEEIFGAYSALWWSPNGTFLAYAQFNDTGVPLIEYSFYSDESLQYPKTVWIPYPKAGAVNPTVKFFIVNTDSLSSTTTTIPMQITAPASVTTGDHYLCDVAWVSEDRISLQWLRRIQNYSVMAICDYDKTTLVWNCPTTQEHIETSATGWCGRFRPAEPHFTSDGSSFYKIVSDKDGYKHICQFQKDRKPEQVCTFITKGAWEVISIEALTSDYLYYISNEYKEMPGGRNLYKIQLTDHTNKKCLSCDLNPERCQYYSVSLSKEAKYYQLGCRGPGLPLYTLHRSTDQKELRVLEDNSALDKMLQDVQMPSKKLDFIVLNETRFWYQMILPPHFDKSKKYPLLIDVYAGPCSQKADAAFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINKRLGTLEVEDQIEAARQFLKMGFVDSKRVAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQAMWYTDEDHGIASSTAHQHIYSHMSHFLQQCFSLR 3g0d A 2.39 BS01 XIH A 1 R125 E205 E206 Y547 S630 Y631 Y662 Y666 V711 R82 E162 E163 Y504 S587 Y588 Y619 Y623 V668 Y547 S630 Y631 D708 H740 Y504 S587 Y588 D665 H697 3.4.14.5 0001618,0001662,0001666,0002020,0004177,0004252,0005102,0005515,0005576,0005765,0005886,0005925,0006508,0007155,0008236,0008239,0008284,0009986,0010716,0016020,0016324,0016486,0019065,0030027,0030139,0031258,0031295,0033632,0035641,0036343,0042110,0042802,0042803,0042995,0043542,0045121,0045499,0046581,0046718,0046813,0050919,0061025,0070062,0070161,0090024,0120116 ic50~5nM -logKd/Ki=8.30, IC50=5nM Ki=2nM P27487 21186796 800 KTYTLTDYLKNTYRLKLYSLRWISDHEYLYKNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP 3g0d B 2.39 BS01 XIH B 1 E205 E206 Y547 S630 Y631 V656 Y662 Y666 V711 E167 E168 Y509 S592 Y593 V618 Y624 Y628 V673 Y547 S630 Y631 D708 H740 Y509 S592 Y593 D670 H702 3.4.14.5 0001618,0001662,0001666,0002020,0004177,0004252,0005102,0005515,0005576,0005765,0005886,0005925,0006508,0007155,0008236,0008239,0008284,0009986,0010716,0016020,0016324,0016486,0019065,0030027,0030139,0031258,0031295,0033632,0035641,0036343,0042110,0042802,0042803,0042995,0043542,0045121,0045499,0046581,0046718,0046813,0050919,0061025,0070062,0070161,0090024,0120116 ic50~5nM Ki=2nM P27487 21186796 800 HHHSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP 3g0d C 2.39 BS01 XIH C 1 R125 E205 E206 Y547 W629 S630 Y631 Y662 Y666 V711 R82 E162 E163 Y504 W586 S587 Y588 Y619 Y623 V668 Y547 S630 Y631 D708 H740 Y504 S587 Y588 D665 H697 3.4.14.5 0001618,0001662,0001666,0002020,0004177,0004252,0005102,0005515,0005576,0005765,0005886,0005925,0006508,0007155,0008236,0008239,0008284,0009986,0010716,0016020,0016324,0016486,0019065,0030027,0030139,0031258,0031295,0033632,0035641,0036343,0042110,0042802,0042803,0042995,0043542,0045121,0045499,0046581,0046718,0046813,0050919,0061025,0070062,0070161,0090024,0120116 ic50~5nM Ki=2nM P27487 21186796 800 KTYTLTDYLKNTYRLKLYSLRWISDHEYLYKNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP 3g0d D 2.39 BS01 XIH D 1 E205 E206 Y547 S630 Y631 Y662 Y666 V711 E162 E163 Y504 S587 Y588 Y619 Y623 V668 Y547 S630 Y631 D708 H740 Y504 S587 Y588 D665 H697 3.4.14.5 0001618,0001662,0001666,0002020,0004177,0004252,0005102,0005515,0005576,0005765,0005886,0005925,0006508,0007155,0008236,0008239,0008284,0009986,0010716,0016020,0016324,0016486,0019065,0030027,0030139,0031258,0031295,0033632,0035641,0036343,0042110,0042802,0042803,0042995,0043542,0045121,0045499,0046581,0046718,0046813,0050919,0061025,0070062,0070161,0090024,0120116 ic50~5nM Ki=2nM P27487 21186796 800 KTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQNILVFNAEYGNSSVLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP