1ffy A 2.2 BS03 MRC A 1 P56 P57 H64 G66 E554 G555 D557 Q558 H585 F587 V588 S597 P56 P57 H64 G66 E554 G555 D557 Q558 H585 F587 V588 S597 S186 S189 D397 T400 W528 K595 K598 S186 S189 D397 T400 W528 K595 K598 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 IC50=20000nM P41972 10446055 1993 MDYEKTLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEYHDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEWVVAQHPFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQQYELPVISPIDDKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREAKDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPADMYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSLGNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDDYRKIRNTLRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVDELTHLCPRCQQVVKSLV 1jzs A 2.5 BS03 MRC A 1 P46 G56 E550 G551 D553 Q554 P46 G56 E550 G551 D553 Q554 P46 H54 H57 D85 W518 Q554 W558 K591 K594 P46 H54 H57 D85 W518 Q554 W558 K591 K594 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0006418,0006428 Ki=0.25uM -logKd/Ki=6.60, Ki=0.25uM P56690 11584022 1301 MFKEVGEPNFPKLEEEVLAFWKREKIFQKSVENRKGGPRYTVYEGPPTANGLPHVGHAQARSYKDLFPRYKTMRGYYAPRRAGWDTHGLPVELEVEKKLGLKSKREIEAYGIERFNQACRESVFTYEKEWEAFTERIAYWVDLEDAYATLEPTYIESIWWSLKNLFDRGLLYRDHKVVPYCPRCGTPLSSHEVALGYKEIQDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAAFQVGDEALILEEGLGRKLLGEGTQVLKTFPGKALEGLPYTPPYPQALEKGYFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLLVEPFKGLYFREANRAILRDLRGRGLLFKEESYLHSYPHCWRCSTPLMYYATESWFIKNTLFKDELIRNNQEIHWVPPHIKEGRYGEWLKNLVDWALSRNRYWGTPLPIWVCQACGKEEAIGSFQELKARATKPLPEPFDPHRPYVDQVELACACGGTMRRVPYVIDVWYDSGAMPFASLHYPFEHEEVFRESFPADFIAEGIDQTRGWFNSLHQLGVMLFGSIAFKNVICHGLILDEKGQKMSKSKGNVVDPWDIIRKFGADALRWYIYVSAPPEADRRFGPNLVRETVRDYFLTLWNVYSFFVTYANLDRPDLKNPPPPEKRPEMDRWLLARMQDLIQRVTEALEAYDPTTSARALRDFVVEDLSQWYVRRNRRRFWKNEDALDREAAYATLYEALVLVATLAAPFTPFLAEVLWQNLVRSVRLEAKESVHLADWPEADPALADEALVAQMRAVLKVVDLARAARAKSGV 1qu2 A 2.2 BS03 MRC A 1 P56 H64 G66 H67 E554 G555 D557 Q558 H585 F587 V588 S597 P56 H64 G66 H67 E554 G555 D557 Q558 H585 F587 V588 S597 S186 S189 D397 T400 W528 K595 K598 S186 S189 D397 T400 W528 K595 K598 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 IC50=20000nM P41972 10446055 1993 MDYEKTLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEYHDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEWVVAQHPFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQQYELPVISPIDDKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREAKDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPADMYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSLGNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDDYRKIRNTLRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVDELTHLCPRCQQVVKSLV 1qu3 A 2.9 BS02 MRC A 1 H64 G66 H67 E554 Q558 W562 H585 F587 V588 K595 S597 K598 H63 G65 H66 E553 Q557 W561 H584 F586 V587 K594 S596 K597 S186 S189 D397 T400 W528 K595 K598 S185 S188 D396 T399 W527 K594 K597 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 IC50=20000nM P41972 10446055 993 DYEKTLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEYHDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEWVVAQHPFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQQYELPVISPIDDKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREAKDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPADMYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSLGNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDDYRKIRNTLRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHA 8c8u A 1.901 BS02 MRC A 1 H54 V55 G56 W517 E549 G550 D552 Q553 H582 V583 M591 K593 A598 H54 V55 G56 W517 E549 G550 D552 Q553 H582 V583 M591 K593 A598 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0006412,0006418,0006428,0008270,0046872,0106074 A0A0B6AVD3 37679387 1102 MKEVNVRESSQEREQRIQQQWQKGNVFQQSVQNREGYPSFVFYEGPPTANGLPHVGHALGRTIKDVVARYKTMTGHQVIRKAGWDTHGLPVELGVEKQLGISGKHDIEKYGVEAFINKCKESVFVYEKQWRTFTEQLGYWVDMEDPYITLENSYIESVWNVLGTIHDKGLLYKGHRVSPYCPSCQTSLSSHEVAQGYKDVKDLTVTVKFKVKNRDNEYFLGWTTTPWTLPSNVALAVHEEMSYVRAEQGDSVYIVAEALADKVLKGEYSVLSHHKGNELKGMSYEPPFNFVKVEKGHEVVTADYVTDQSGTGVVHLAPAYGEDDYRVVKENGFSFVNVVDEKGQYTSEVPPFQGRFVKDCDVDIVRYLANQDVLYHKEKHEHSYPFCWRCDSPLLYYANESWFIQTTALKEQFLKNNESVKWYPDHIKHGRFGKFLENMVDWNISRKRYWGTPLNVWECEGCQHQVAPKSIKELQKHASHYVDDSIELHKPYVDDVQLTCPVCSGEMKRTPEVIDVWFDSGSMPFAQYHYPFENSELFQKQFPADVIAEGIDQTRGWFYSLMAVSTLFTGKAPYKRVLSLGHVLDENGQKMSKSKGNALDPVDLIHTFGADALRWALLADSAPWNPKKFSERVVQEAKSKVIDTLVNVYGFYVLYAKLDGYDPEQTYELKKTKLDEWILSRLHSTVKRATVHLEDYGFTSAAREIAVFIEELSNWYVRRSRDRFWSEGMDGEKAAAYDTLHEVLVTLSQLLAPFTPFVADDVHENLTGKSVHLADYPACDQTKVNEKLEKEMAAVLQVVELGRSIRNTHSLKVKQPLQSLSLVVTEEDVEWKAYRDVIKDELNVKNFNVEQDDDKVLSYVLKLDFKQAGPKFGKQVNEVNQASEEKGKEFVEQGKLSVTLASGENLTLETEDVLVEKVPKEGFAVASNGMYTAVLDTALTEELVQEGVAREVIRAVQDYRKKLDLPVNSRINLELSGDEEVQKAVAKFETLLQENLLLHSLSVKETIKNGETVKVGTKQVVLRVLNQS 8c9g A 2.8 BS02 MRC A 1 P56 P57 G66 H67 N70 E553 G554 D556 Q557 H584 F586 A587 S596 K597 V602 P56 P57 G66 H67 N70 E553 G554 D556 Q557 H584 F586 A587 S596 K597 V602 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 A0A0B6A6A8 37679387 1002 MEYKDTLLMPKTEFPMRGNLPNREPKMQEQWAEMNIYEKVQKRTEGRPLFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGFCAPYVPGWDTHGLPIETALTKNKKVNRKEMTVAEFRKLCEQYAWEQVNGQREQFKRLGVRGDWDNPYVTLQPQYEAQQIKVFGDMAKKGYIYKGLKPVYWSPSSESALAEAEIEYYDKRSASIYVAFNVKDGKGVLEQDEKFIIWTTTPWTMPANQGIAVNPELQYSVVEADGAKYVVATELIETVAKEIEWADYKTLRTVKGSELERVVAEHPIYKRDSLVVLGDHVTTDAGTGCVHTAPGHGEDDFIVGQKYGLEVLCPVDSKGHMTNEAPGFEGLFYDKANKPITDKLEEEGALLKLSFITHSYPHDWRTKKPTIFRATAQWFASIKDFREDLLKAVEKTKWVPTWGETRLYNMVRDRGDWCISRQRAWGVPIPVFYAENEEPIITDETIEHVSNLFREHGSNVWFEREAKDLLPEGFTHEGSPNGRFTKETDIMDVWFDSGSSHQAVLEEREDLQRPADLYLEGSDQYRGWFNSSLSTSVAVTGEAPYKGVLSHGFALDGEGRKMSKSLGNVVIPEKVMKQLGADILRLWVASVDYQADVRVSDNILKQVAEVYRKIRNTFRFLLGNLADFNPTTDAVAVEDLREVDRYMLVKLNKLIDKVKKSYDSYEFSSIYHAVHNFCTIDMSSFYLDFAKDVLYIEAENNVERRSIQTVLYETLLSLTKLVSPILSHTADEVWVHIPNVTEESVQLVDMPEVQEIEGADQLVEKWDAFMELRDEVLKALEQARNEKVIGKSLEAKLTLYPTADTKELLASISENVGQLFIVSDLEVAEGEAPAEAQKFSYASIVVSKAEGEKCERCWVVSPTVGEDQDHPTLCTRCADVVKNHYVQQ 8c9g B 2.8 BS02 MRC B 1 P56 P57 H64 G66 N70 E553 G554 D556 Q557 W561 F586 A587 M595 S596 K597 P56 P57 H64 G66 N70 E553 G554 D556 Q557 W561 F586 A587 M595 S596 K597 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 A0A0B6A6A8 37679387 1002 MEYKDTLLMPKTEFPMRGNLPNREPKMQEQWAEMNIYEKVQKRTEGRPLFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGFCAPYVPGWDTHGLPIETALTKNKKVNRKEMTVAEFRKLCEQYAWEQVNGQREQFKRLGVRGDWDNPYVTLQPQYEAQQIKVFGDMAKKGYIYKGLKPVYWSPSSESALAEAEIEYYDKRSASIYVAFNVKDGKGVLEQDEKFIIWTTTPWTMPANQGIAVNPELQYSVVEADGAKYVVATELIETVAKEIEWADYKTLRTVKGSELERVVAEHPIYKRDSLVVLGDHVTTDAGTGCVHTAPGHGEDDFIVGQKYGLEVLCPVDSKGHMTNEAPGFEGLFYDKANKPITDKLEEEGALLKLSFITHSYPHDWRTKKPTIFRATAQWFASIKDFREDLLKAVEKTKWVPTWGETRLYNMVRDRGDWCISRQRAWGVPIPVFYAENEEPIITDETIEHVSNLFREHGSNVWFEREAKDLLPEGFTHEGSPNGRFTKETDIMDVWFDSGSSHQAVLEEREDLQRPADLYLEGSDQYRGWFNSSLSTSVAVTGEAPYKGVLSHGFALDGEGRKMSKSLGNVVIPEKVMKQLGADILRLWVASVDYQADVRVSDNILKQVAEVYRKIRNTFRFLLGNLADFNPTTDAVAVEDLREVDRYMLVKLNKLIDKVKKSYDSYEFSSIYHAVHNFCTIDMSSFYLDFAKDVLYIEAENNVERRSIQTVLYETLLSLTKLVSPILSHTADEVWVHIPNVTEESVQLVDMPEVQEIEGADQLVEKWDAFMELRDEVLKALEQARNEKVIGKSLEAKLTLYPTADTKELLASISENVGQLFIVSDLEVAEGEAPAEAQKFSYASIVVSKAEGEKCERCWVVSPTVGEDQDHPTLCTRCADVVKNHYVQQ 8wo3 A 2.2 BS02 MRC A 1 P57 P58 H65 L66 G67 N71 E569 G570 D572 Q573 W577 F602 I603 M611 S612 K613 V618 P55 P56 H63 L64 G65 N69 E567 G568 D570 Q571 W575 F600 I601 M609 S610 K611 V616 6.1.1.5 0000049,0000166,0002161,0004812,0004822,0005524,0005737,0005829,0006412,0006418,0006428,0008270,0046872,0106074 P56456 38246751 1006 EYKDTLNLNTTTFSMKGNLSVNEPKTYAKWQEQQAFKRMQARKDNHGDFTLHDGPPYANGHLHLGHALNKILKDIVVKREYFKGKKIYYTPGWDCHGLPIEQQILERLEKEKTSLENPTLFREKCRDHAKKFLEIQKNEFLQLGVLGDFEDPYKTMDFKFEASIYRALVEVAKKGLLKERHKPIYWSYACESALAEAEVEYKMKKSPSIFVAFGLKKESLEKLKVKKASLVIWTTTPWTLYANVAIALKKDAVYALTQKGYLVAKALHEKLAALGVVDNEITHEFNSNDLEYLVATNPLNQRDSLVALGEHVGLEDGTGAVHTAPGHGEEDYYLGLRYNLEVLMSVDEKGCYDEGIIHNQLLDESYLGEHVFKAQKRIIEQLGDSLLLEQEIEHSYPHCWRTHKPVIYRATTQWFILMDEPFIQNDGSQKTLREVALDAIEKVEFVPSSGKNRLKTMIENRPDWCLSRQRKWGVPLAFFIDKRTNKPCFESEVLEHVANLFEKKGCDVWWEYSVKDLLPPSYQEDAKHYEKIMHILDVWFDSGSTFKAVLEDYHGEKGQSPSDVILEGSDQHRGWFQSSLLIGCVLNNQAPFKKVITHGFIVDEKGEKMSKSKGNVVSLDKLLKTHGSDVVRLWVAFNDYQNDLRVSQTFFTQTEQHYKKFRNTLKFLLANFSDMDLKNLERPHNFSPLDHFMLETLETISAGVNSAFEEHDFVKGLNILMAFVTNELSGIYLDACKDSLYCDSKNNEKRQAIQMVLLATASKLCYFLAPILTHTIEEVLEHSQALRIFLQAKDVFDLKDISVSEKLHLKEFKKPENFEAVLALRSAFNEELDRLKKEGVIKNSLECAIEVKEKALDENLVEELLMVSFVGIAKEKLSETPAFTLFKAPFYKCPRCWRFKSELENTPCKRCEQVLKER