1dmt A 2.1 BS02 RDF A 1 R102 F106 R110 N542 A543 F544 V580 E584 H587 E646 H711 R717 R49 F53 R57 N489 A490 F491 V527 E531 H534 E593 H658 R664 H583 E584 H587 E646 D650 H711 R717 H530 E531 H534 E593 D597 H658 R664 3.4.24.11 0001786,0001822,0001890,0004175,0004222,0005515,0005737,0005769,0005802,0005886,0005903,0005925,0006508,0006518,0007611,0008021,0008233,0008237,0008238,0008270,0009986,0010814,0010815,0016020,0016485,0019233,0030163,0030324,0030424,0030425,0030667,0031410,0042277,0042447,0042803,0043025,0043627,0044306,0045121,0045202,0046449,0046872,0050435,0050769,0061837,0070012,0070062,0071345,0071492,0071493,0090399,0097242,0098793,0150094,1900273,1901612 -logKd/Ki=8.70, IC50=2nM IC50=30nM P08473 10669592 750 GICKSSDCIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKDVLQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGASWTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLYNKMTLAQIQNNFSLEINGKPFSWLNFTNEIMSTVNISITNEEDVVVYAPEYLTKLKPILTKYSARDLQNLMSWRFIMDLVSSLSRTYKESRNAFRKALYGTTSETATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKRAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAAVVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSASNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGLGQAYRAYQNYIKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIGTLQNSAEFSEAFHCRKNSYMNPEKKCRVW 1tlp E 2.3 BS01 RDF E 1 N111 N112 A113 E143 H146 Y157 E166 R203 H231 N111 N112 A113 E143 H146 Y157 E166 R203 H231 3.4.24.27 0004222,0006508 Ki=28nM -logKd/Ki=7.55, Ki=28nM Kd=28nM, IC50=33nM, Ki=28nM P00800 3709536 317 ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGDGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSEMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK 3dbk A 1.4 BS03 RDF A 1 N112 A113 Y114 M128 F129 H140 E141 H144 E164 L197 R198 H223 N112 A113 Y114 M128 F129 H140 E141 H144 E164 L197 R198 H223 H140 E141 H144 Y155 E164 D221 H223 H140 E141 H144 Y155 E164 D221 H223 3.4.24.26 0004222,0006508 P14756 2001 AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCP 3dwb A 2.38 BS03 RDF A 1 F149 V565 N566 A567 V604 H607 E608 H611 E667 H732 R738 F49 V455 N456 A457 V494 H497 E498 H501 E557 H622 R628 H607 E608 H611 E667 D671 H732 R738 H497 E498 H501 E557 D561 H622 R628 3.4.24.71 0004222,0006508,0008237 ic50=0.65uM -logKd/Ki=6.19, IC50=0.65uM IC50=1200nM P42892 18992253 817 SEACVSVTSSILSSMDPTVDPCHDFFSYACGGWIKANPVPDGHSRWGTFSNLWEHNQAIIKHLLENSTASVSEAERKAQVYYRACMNETRIEELRAKPLMELIERLGGWNITGPWAKDNFQDTLQVVTAHYRTSPFFSVYVSADSKNSNSNVIQVDQSGLGLPSRDYYLNKTENEKVLTGYLNYMVQLGKLLGGGDEEAIRPQMQQILDFETALANITIPQEKRRDEELIYHKVTAAELQTLAPAINWLPFLNTIFYPVEINESEPIVVYDKEYLEQISTLINTTDRCLLNNYMIWNLVRKTSSFLDQRFQDADEKFMEVMWKFCVSDTENNLGFALGPMFVKATFAEDSKSIATEIILEIKKAFEESLSTLKWMDEETRKSAKEKADAIYNMIGYPNFIMDPKELDKVFNDYTAVPDLYFENAMRFFNFSWRVTADQLRKAPNRDQWSMTPPMVNAYYSPTKNEIVFPAGILQAPFYTRSSPKALNFGGIGVVVGHELTHAFDDQGREYDKDGNLRPWWKNSSVEAFKRQTECMVEQYSNYSVNGEPVNGRHTLGENIADNGGLKAAYRAYQNWVKKNGAEHSLPTLGLTNNQLFFLGFAQVWCSVRTPESSHEGLITDPHSPSRFRVIGSLSNSKEFSEHFRCPPGSPMNPPHKCEVW 3zuk A 2.6 BS02 RDF A 1 F48 N452 A453 E494 H497 R616 H622 R628 F45 N446 A447 E488 H491 R610 H616 R622 H493 E494 H497 E560 D564 H622 R628 H487 E488 H491 E554 D558 H616 R622 3.4.24.- 0004222,0005886,0006508,0008237,0009274,0016485,0046872 -logKd/Ki=7.46, Ki=35nM O53649 21813647 1665 AIPSGIDLSHIDADARPQDDLFGHVNGRWLAEHEIPADRATDGAFRSLFDRAETQVRDLIIQASQAGAAVGTDAQRIGDLYASFLDEEAVERAGVQPLHDELATIDSAADATELAAALGTLQRAGVGGGIGVYVDTDSKDSTRYLVHFTQSGIGLPDESYYRDEQHAAVLAAYPGHIARMFGLVYGGESRDHAKTADRIVALETKLADAHWDVVKRRDADLGYNLRTFAQLQTEGAGFDWVSWVTALGSAPDAMTELVVRQPDYLVTFASLWASVNVEDWKCWARWRLIRARAPWLTRALVAEDFEFYGRTLTGAQQLRDRWKRGVSLVENLMGDAVGKLYVQRHFAKSRIDTLVDNLQEAYRISISELDWMTPQTRQRALAKLNKFTAKVGYPIKWRDYSKLAIDRDDLYGNVQRGYAVNHDRELAKLFGPVDRDEWFMTPQTVNAYYNPGMNEIVFPAAILQPPFFDPQADEAANYGGIGAVIGHEIGHGFDDQGAKYDGDGNLVDWWTDDDRTEFAARTKALIEQYHAYTPRDLVDHPGPPHVQGAFTIGENIGDLGGLSIALLAYQLSLNGNPAPVIDGLTGMQRVFFGWAQIWRTKSRAAEAIRRLAVDPHSPPEFRCNGVVRNVDAFYQAFDVTEDDALFLDPQRRVRIWN 3zuk B 2.6 BS02 RDF B 1 F48 N452 A453 V490 E494 H497 E560 H622 R628 F45 N446 A447 V484 E488 H491 E554 H616 R622 H493 E494 H497 E560 D564 H622 R628 H487 E488 H491 E554 D558 H616 R622 3.4.24.- 0004222,0005886,0006508,0008237,0009274,0016485,0046872 O53649 21813647 1665 AIPSGIDLSHIDADARPQDDLFGHVNGRWLAEHEIPADRATDGAFRSLFDRAETQVRDLIIQASQAGAAVGTDAQRIGDLYASFLDEEAVERAGVQPLHDELATIDSAADATELAAALGTLQRAGVGGGIGVYVDTDSKDSTRYLVHFTQSGIGLPDESYYRDEQHAAVLAAYPGHIARMFGLVYGGESRDHAKTADRIVALETKLADAHWDVVKRRDADLGYNLRTFAQLQTEGAGFDWVSWVTALGSAPDAMTELVVRQPDYLVTFASLWASVNVEDWKCWARWRLIRARAPWLTRALVAEDFEFYGRTLTGAQQLRDRWKRGVSLVENLMGDAVGKLYVQRHFAKSRIDTLVDNLQEAYRISISELDWMTPQTRQRALAKLNKFTAKVGYPIKWRDYSKLAIDRDDLYGNVQRGYAVNHDRELAKLFGPVDRDEWFMTPQTVNAYYNPGMNEIVFPAAILQPPFFDPQADEAANYGGIGAVIGHEIGHGFDDQGAKYDGDGNLVDWWTDDDRTEFAARTKALIEQYHAYTPRDLVDHPGPPHVQGAFTIGENIGDLGGLSIALLAYQLSLNGNPAPVIDGLTGMQRVFFGWAQIWRTKSRAAEAIRRLAVDPHSPPEFRCNGVVRNVDAFYQAFDVTEDDALFLDPQRRVRIWN 4b52 A 1.76 BS05 RDF A 1 N104 N105 A106 F123 F126 H135 E136 H139 E159 L190 R191 H219 N104 N105 A106 F123 F126 H135 E136 H139 E159 L190 R191 H219 H135 E136 H139 Y150 E159 D214 H219 H135 E136 H139 Y150 E159 D214 H219 3.4.24.- 0004222,0006508 E3E6L0 23275160 501 ATGTGKGVLGDTKSFTTTASGSSYQLKDTTRGNGVVTYTASNRQSIPGTILTDADNVWNDPAGVDAHTYAAKTYDYYKAKFGRNSIDGRGLQLRSTVHYGSRYNNAFWNGSQMTYGDGDGSTFIAFSGDPDVVGHELTHGVTEYTSNLEYYGESGALNEAFSDVIGNDIQRKNWLVGDDIYTPNIAGDALRSMSNPTLYDQPDHYSNLYTGSSDNGGVHTNSGIINKAYYLLAQGGTFHGVTVNGIGRDAAVQIYYSAFTNYLTSSSDFSNARAAVIQAAKDQYGANSAEATAAAKSFDAVGVN 4b52 A 1.76 BS06 RDF B 1 Y151 N215 Y151 N215 H135 E136 H139 Y150 E159 D214 H219 H135 E136 H139 Y150 E159 D214 H219 3.4.24.- 0004222,0006508 E3E6L0 23275160 501 ATGTGKGVLGDTKSFTTTASGSSYQLKDTTRGNGVVTYTASNRQSIPGTILTDADNVWNDPAGVDAHTYAAKTYDYYKAKFGRNSIDGRGLQLRSTVHYGSRYNNAFWNGSQMTYGDGDGSTFIAFSGDPDVVGHELTHGVTEYTSNLEYYGESGALNEAFSDVIGNDIQRKNWLVGDDIYTPNIAGDALRSMSNPTLYDQPDHYSNLYTGSSDNGGVHTNSGIINKAYYLLAQGGTFHGVTVNGIGRDAAVQIYYSAFTNYLTSSSDFSNARAAVIQAAKDQYGANSAEATAAAKSFDAVGVN 4b52 B 1.76 BS05 RDF B 1 N104 N105 A106 F123 F126 V132 H135 E136 H139 E159 L190 R191 H219 N104 N105 A106 F123 F126 V132 H135 E136 H139 E159 L190 R191 H219 H135 E136 H139 Y150 E159 D214 H219 H135 E136 H139 Y150 E159 D214 H219 3.4.24.- 0004222,0006508 E3E6L0 23275160 501 ATGTGKGVLGDTKSFTTTASGSSYQLKDTTRGNGVVTYTASNRQSIPGTILTDADNVWNDPAGVDAHTYAAKTYDYYKAKFGRNSIDGRGLQLRSTVHYGSRYNNAFWNGSQMTYGDGDGSTFIAFSGDPDVVGHELTHGVTEYTSNLEYYGESGALNEAFSDVIGNDIQRKNWLVGDDIYTPNIAGDALRSMSNPTLYDQPDHYSNLYTGSSDNGGVHTNSGIINKAYYLLAQGGTFHGVTVNGIGRDAAVQIYYSAFTNYLTSSSDFSNARAAVIQAAKDQYGANSAEATAAAKSFDAVGVN 4cth A 2.15 BS02 RDF A 1 F106 V541 N542 A543 H583 E584 H587 E646 W693 H711 R717 F54 V489 N490 A491 H531 E532 H535 E594 W641 H659 R665 H583 E584 H587 E646 D650 H711 R717 H531 E532 H535 E594 D598 H659 R665 3.4.24.11 0001786,0001822,0001890,0004175,0004222,0005515,0005737,0005769,0005802,0005886,0005903,0005925,0006508,0006518,0007611,0008021,0008233,0008237,0008238,0008270,0009986,0010814,0010815,0016020,0016485,0019233,0030163,0030324,0030424,0030425,0030667,0031410,0042277,0042447,0042803,0043025,0043627,0044306,0045121,0045202,0046449,0046872,0050435,0050769,0061837,0070012,0070062,0071345,0071492,0071493,0090399,0097242,0098793,0150094,1900273,1901612 IC50=30nM P08473 25089527 1759 DGICKSSDCIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKDVLQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGASWTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLYNKMTLAQIQNNFSLEINGKPFSWLNFTNEIMSTVNISITNEEDVVVYAPEYLTKLKPILTKYSARDLQNLMSWRFIMDLVSSLSRTYKESRNAFRKALYVTTSETATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKRAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAAVVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSASNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGLGQAYRAYQNYIKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPKNFRIIGTLQNSAEFSEAFHCRKNSYMNPEKKCRVW 4zr5 A 2.8016 BS02 RDF A 1 R103 F107 D108 N543 A544 F545 V581 H584 E585 E647 W694 H712 R718 R49 F53 D54 N489 A490 F491 V527 H530 E531 E593 W640 H658 R664 H584 E585 H588 E647 D651 H712 R718 H530 E531 H534 E593 D597 H658 R664 3.4.24.11 0001822,0004222,0005737,0005886,0005903,0006508,0006518,0008021,0008237,0008270,0010814,0010815,0016485,0019233,0030424,0030425,0042277,0042447,0044306,0045202,0046449,0046872,0050435,0071345,0071492,0071493,0090399,0097242 IC50=6nM P08049 31204686 802 GICKSSDCIKSAARLIQNMDATAEPCTDFFKYACGGWLKRNVIPETSSRYSNFDILRDELEVILKDVLQEPKTEDIVAVQKAKTLYRSCVNETAIDSRGGQPLLKLLPDVYGWPVATQNWEQTYGTSWSAEKSIAQLNSKYGKKVLINFFVGTDDKNSMNHIIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMIAVAKLIRQEEGLPIDENQISVEMNKVMELEKEIANATTKSEDRNDPMLLYNKMTLAQIQNNFSLEINGKPFSWSNFTNEIMSTVNINIPNEEDVVVYAPEYLIKLKPILTKYSPRDLQNLMSWRFIMDLVSSLSRTYKDSRNAFRKALYGTTSESATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKKAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWITGAAIVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSANNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGIGQAYRAYQNYVKKNGEEKLLPGIDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIGSLQNSVEFSEAFQCPKNSYMNPEKKCRVW 4zr5 B 2.8016 BS02 RDF B 1 R103 F107 D108 V542 N543 A544 F545 V581 E585 E647 H712 R718 R49 F53 D54 V488 N489 A490 F491 V527 E531 E593 H658 R664 H584 E585 H588 E647 D651 H712 R718 H530 E531 H534 E593 D597 H658 R664 3.4.24.11 0001822,0004222,0005737,0005886,0005903,0006508,0006518,0008021,0008237,0008270,0010814,0010815,0016485,0019233,0030424,0030425,0042277,0042447,0044306,0045202,0046449,0046872,0050435,0071345,0071492,0071493,0090399,0097242 IC50=6nM P08049 31204686 802 GICKSSDCIKSAARLIQNMDATAEPCTDFFKYACGGWLKRNVIPETSSRYSNFDILRDELEVILKDVLQEPKTEDIVAVQKAKTLYRSCVNETAIDSRGGQPLLKLLPDVYGWPVATQNWEQTYGTSWSAEKSIAQLNSKYGKKVLINFFVGTDDKNSMNHIIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMIAVAKLIRQEEGLPIDENQISVEMNKVMELEKEIANATTKSEDRNDPMLLYNKMTLAQIQNNFSLEINGKPFSWSNFTNEIMSTVNINIPNEEDVVVYAPEYLIKLKPILTKYSPRDLQNLMSWRFIMDLVSSLSRTYKDSRNAFRKALYGTTSESATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKKAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWITGAAIVNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLVDWWTQQSANNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGIGQAYRAYQNYVKKNGEEKLLPGIDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIGSLQNSVEFSEAFQCPKNSYMNPEKKCRVW 6bh8 A 3.85 BS02 RDF A 1 S264 N265 V332 H335 E336 H339 E415 N442 H459 R465 S210 N211 V233 H236 E237 H240 E316 N343 H360 R366 3.4.24.84 0001889,0001942,0003007,0003229,0003231,0003417,0003690,0004175,0004222,0005515,0005634,0005635,0005637,0005768,0005783,0005789,0006281,0006325,0006355,0006508,0006925,0006974,0006997,0006998,0007346,0007628,0008016,0008233,0008235,0008237,0008340,0008360,0008544,0010506,0010628,0010629,0010906,0016020,0016485,0019216,0030282,0030327,0030500,0031901,0031902,0032006,0032350,0032991,0035264,0040014,0040029,0043007,0043516,0044029,0044255,0046872,0048145,0048538,0050688,0050905,0051276,0051604,0055013,0060307,0060993,0061337,0061762,0070062,0070302,0071480,0071586,0072423,1903463,1903522,1903799,1990036,2000730,2000772 -logKd/Ki=5.12, IC50=7.6uM O75844 30082509 502 EKRIFGAVLLFSWTVYLWETFLAQRQRRIYKTTTHVPPELGQIMDYLWRLSGRFCGYAGFGPEYEITQSLVFLLLATLFSALAGLPWSLYNTFVIEEKHGFNQQTLGFFMKDAIKKFVVTQCILLPVSSLLLYIIKIGGDYFFIYAWLFTLVVSLVLVTIYADYIAPLFDKFTPLPEGKLKEEIEVMAKSIDFPLTKVYVVEGSKRSSHSNAYFKRIVLFDTLGCKNEEVLAVLGHELGHWKLGHTVKNIIISQMNSFLCFFLFAVLIGRKELFAAFGFYDSQPTLIGLLIIFQFIFSPYNEVLSFCLTVLSRRFEFQADAFAKKLGKAKDLYSALIKLNKDNLGFPVSDWLFSMWHYSHPPLLERLQALK 6bh8 B 3.85 BS02 RDF B 1 S264 N265 V332 H335 E336 H339 E415 N442 H459 R465 S249 N250 V272 H275 E276 H279 E355 N382 H399 R405 3.4.24.84 0001889,0001942,0003007,0003229,0003231,0003417,0003690,0004175,0004222,0005515,0005634,0005635,0005637,0005768,0005783,0005789,0006281,0006325,0006355,0006508,0006925,0006974,0006997,0006998,0007346,0007628,0008016,0008233,0008235,0008237,0008340,0008360,0008544,0010506,0010628,0010629,0010906,0016020,0016485,0019216,0030282,0030327,0030500,0031901,0031902,0032006,0032350,0032991,0035264,0040014,0040029,0043007,0043516,0044029,0044255,0046872,0048145,0048538,0050688,0050905,0051276,0051604,0055013,0060307,0060993,0061337,0061762,0070062,0070302,0071480,0071586,0072423,1903463,1903522,1903799,1990036,2000730,2000772 O75844 30082509 502 EKRIFGAVLLFSWTVYLWETFLAQRQRRIYKTTTHVPPELGQIMDSETFEKSRLYQLDKSTFSFWSGLYSETEGTLILLFGGIPYLWRLSGRFCGYAGFGPEYEITQSLVFLLLATLFSALAGLPWSLYNTFVIEEKHGFNQQTLGFFMKDAIKKFVVTQCILLPVSSLLLYIIKIGGDYFFIYAWLFTLVVSLVLVTIYADYIAPLFDKFTPLPEGKLKEEIEVMAKSIDFPLTKVYVVEGSKRSSHSNAYFKRIVLFDTLGCKNEEVLAVLGHELGHWKLGHTVKNIIISQMNSFLCFFLFAVLIGRKELFAAFGFYDSQPTLIGLLIIFQFIFSPYNEVLSFCLTVLSRRFEFQADAFAKKLGKAKDLYSALIKLNKDNLGFPVSDWLFSMWHYSHPPLLERLQALK