1acl A 2.8 BS01 DME A 1 Y70 W84 Y121 W279 F330 F331 H440 Y67 W81 Y118 W276 F327 F328 H437 G118 G119 G151 S200 A201 A239 F290 F292 E327 H440 G115 G116 G148 S197 A198 A236 F287 F289 E324 H437 3.1.1.7 0001507,0003990,0004104,0005615,0005886,0006581,0019695,0043083,0045202,0052689,0098552 P04058 8415649 999 SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT 1maa A 2.9 BS01 DME A 1 Y72 W86 G121 Y124 S203 W286 F297 Y337 F338 Y341 H447 Y69 W83 G118 Y121 S200 W283 F294 Y334 F335 Y338 H444 G121 G122 G154 S203 A204 G242 F297 F299 E334 H447 G118 G119 G151 S200 A201 G239 F294 F296 E331 H444 3.1.1.7 0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005794,0005886,0006581,0007155,0009986,0016020,0016787,0017171,0031594,0031623,0042166,0042802,0042803,0043236,0045202,0048471,0052689,0060041,0095500,0098552,0120162 Ki=460nM P21836 9915834 998 EDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDRKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSAT 1maa B 2.9 BS01 DME B 1 Y124 S293 I294 F338 Y341 Y122 S284 I285 F329 Y332 G121 G122 G154 S203 A204 G242 F297 F299 E334 H447 G119 G120 G152 S201 A202 G240 F288 F290 E325 H438 3.1.1.7 0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005794,0005886,0006581,0007155,0009986,0016020,0016787,0017171,0031594,0031623,0042166,0042802,0042803,0043236,0045202,0048471,0052689,0060041,0095500,0098552,0120162 Ki=460nM P21836 9915834 996 REDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDRKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDT 1maa C 2.9 BS01 DME C 1 Y72 W86 G121 G122 Y124 S203 W286 Y337 F338 Y341 H447 Y72 W86 G121 G122 Y124 S203 W279 Y330 F331 Y334 H440 G121 G122 G154 S203 A204 G242 F297 F299 E334 H447 G121 G122 G154 S203 A204 G242 F290 F292 E327 H440 3.1.1.7 0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005794,0005886,0006581,0007155,0009986,0016020,0016787,0017171,0031594,0031623,0042166,0042802,0042803,0043236,0045202,0048471,0052689,0060041,0095500,0098552,0120162 Ki=460nM P21836 9915834 997 EGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDRKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLD 1maa D 2.9 BS01 DME D 1 W86 S203 W286 Y337 F338 Y341 W83 S200 W283 Y334 F335 Y338 G121 G122 G154 S203 A204 G242 F297 F299 E334 H447 G118 G119 G151 S200 A201 G239 F294 F296 E331 H444 3.1.1.7 0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005794,0005886,0006581,0007155,0009986,0016020,0016787,0017171,0031594,0031623,0042166,0042802,0042803,0043236,0045202,0048471,0052689,0060041,0095500,0098552,0120162 Ki=460nM P21836 9915834 999 EDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDRKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATD 2xud A 2.65 BS01 DME A 1 Y72 W86 Y124 W286 F338 Y341 H447 Y72 W86 Y124 W281 F333 Y336 H442 G121 G122 G154 S203 A204 G242 F297 F299 E334 H447 G121 G122 G154 S203 A204 G242 F292 F294 E329 H442 3.1.1.7 0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005794,0005886,0006581,0007155,0009986,0016020,0016787,0017171,0031594,0031623,0042166,0042802,0042803,0043236,0045202,0048471,0052689,0060041,0095500,0098552,0120162 Ki=460nM P21836 21090615 1544 EGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSAFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSA 3mes A 2.35 BS02 DME A 1 S80 D268 E304 Y309 W371 W374 F389 S31 D211 E247 Y252 W314 W317 F323 ? 0000166,0004103,0004305,0005737,0006646,0006656,0006657,0016301,0016310,0046872 Q5CUP2 427 DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHVKFYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIAVEFDFTEYANTRFTHYLQKKKELIDQGILPLNSWLFN 3mes B 2.35 BS02 DME B 1 D268 E304 Y309 W371 F389 D211 E247 Y252 W314 F324 ? 0000166,0004103,0004305,0005737,0006646,0006656,0006657,0016301,0016310,0046872 Q5CUP2 427 DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHVFYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIASVEFDFTEYANTRFTHYLQKKKELIDQGILPLNSWLFN 5e2i A 2.65 BS01 DME A 1 Y70 Y121 W279 F330 F331 Y334 Y67 Y118 W276 F327 F328 Y331 G118 G119 G151 S200 A201 A239 F290 F292 E327 H440 G115 G116 G148 S197 A198 A236 F287 F289 E324 H437 3.1.1.7 0001507,0003990,0004104,0005615,0005886,0006581,0019695,0043083,0045202,0052689,0098552 P04058 26990888 605 SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT 5e4j A 2.54 BS01 DME A 1 W84 E199 W279 F330 F331 Y334 W81 E196 W276 F327 F328 Y331 G118 G119 G151 S200 A201 A239 F290 F292 E327 H440 G115 G116 G148 S197 A198 A236 F287 F289 E324 H437 3.1.1.7 0001507,0003990,0004104,0005615,0005886,0006581,0019695,0043083,0045202,0052689,0098552 P04058 26990888 603 SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT 6ep4 A 2.30005 BS02 DME A 1 W82 P285 Y332 H438 W80 P283 Y330 H432 G116 G117 G149 S198 A199 Y237 V288 F290 E325 H438 G114 G115 G147 S196 A197 Y235 V286 F288 E323 H432 3.1.1.8 0001540,0003824,0003990,0004104,0005515,0005576,0005615,0005641,0005783,0005788,0005886,0006581,0006805,0007584,0007612,0008285,0009410,0014016,0016486,0016788,0019695,0019899,0033265,0042802,0043279,0050783,0050805,0051384,0051593,0052689,0072562 Ki=4.5uM -logKd/Ki=5.35, Ki=4.5uM P06276 29186056 601 DIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAKYGNPQETQNQSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV