1acj A 2.8 BS01 THA A 1 W84 G118 E199 F330 W432 H440 W81 G115 E196 F327 W429 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 -logKd/Ki=8.09, IC50=8.2nM IC50=29nM, Ki=40nM P04058 8415649 999 SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPSKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT 1mx1 A 2.4 BS02 THA A 1 L1097 F1101 S1221 H1468 L77 F81 S201 H447 G1142 G1143 S1221 A1222 E1354 H1468 G122 G123 S201 A202 E334 H447 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 -logKd/Ki=4.00, Ki>100uM IC50=>100000nM, Ki=>100000nM P23141 12725862 1 SSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 1mx1 B 2.4 BS03 THA B 1 S2221 L2304 L2363 S200 L283 L341 G2142 G2143 S2221 A2222 E2354 H2468 G121 G122 S200 A201 E333 H446 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 IC50=>100000nM, Ki=>100000nM P23141 12725862 2 SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 1mx1 C 2.4 BS01 THA C 1 S3221 V3254 L3255 S200 V233 L234 G3142 G3143 S3221 A3222 E3354 H3468 G121 G122 S200 A201 E333 H446 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 IC50=>100000nM, Ki=>100000nM P23141 12725862 3 SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 1mx1 D 2.4 BS02 THA D 1 S4221 L4304 L4363 H4468 S200 L283 L341 H446 G4142 G4143 S4221 A4222 E4354 H4468 G121 G122 S200 A201 E333 H446 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 IC50=>100000nM, Ki=>100000nM P23141 12725862 4 SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 1mx1 E 2.4 BS02 THA E 1 L5097 S5221 V5254 L5363 L76 S200 V233 L341 G5142 G5143 S5221 A5222 E5354 H5468 G121 G122 S200 A201 E333 H446 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 IC50=>100000nM, Ki=>100000nM P23141 12725862 5 SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 1mx1 F 2.4 BS01 THA F 1 S6221 V6254 L6363 M6364 S200 V233 L341 M342 G6142 G6143 G6173 S6221 A6222 L6319 E6354 H6468 G121 G122 G152 S200 A201 L298 E333 H446 3.1.1.1,3.1.1.13,3.1.1.56 0004771,0005737,0005783,0005788,0005811,0005829,0006629,0006695,0008203,0009636,0010875,0010887,0016042,0030855,0042632,0043691,0047374,0051791,0052689,0070857,0071397,0071404,0090122,0090205,0106435,0120188 IC50=>100000nM, Ki=>100000nM P23141 12725862 6 SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAK 2aow A 2.97 BS01 THA A 1 F22 E28 Q143 W179 W183 F18 E24 Q139 W175 W179 2.1.1.8 0001692,0001695,0005654,0005737,0005813,0005829,0006548,0007585,0008168,0008170,0032259,0046539,0070062 -logKd/Ki=7.42, Ki=38.2nM P50135 16168438 400 MRSLFSDHGKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKISNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA 2aow B 2.97 BS01 THA B 1 F22 E28 Y146 Y147 W179 W183 C196 E246 F18 E24 Y142 Y143 W175 W179 C192 E242 2.1.1.8 0001692,0001695,0005654,0005737,0005813,0005829,0006548,0007585,0008168,0008170,0032259,0046539,0070062 P50135 16168438 401 MRSLFSDHGKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKISNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA 2aox A 3.12 BS01 THA A 1 F19 F22 E28 Q143 W179 W183 F15 F18 E24 Q139 W175 W179 2.1.1.8 0001692,0001695,0005654,0005737,0005813,0005829,0006548,0007585,0008168,0008170,0032259,0046539,0070062 -logKd/Ki=7.42, Ki=38.2nM P50135 16168438 400 MRSLFSDHGKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKTSNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA 2aox B 3.12 BS01 THA B 1 F19 F22 E28 Q143 W179 W183 F15 F18 E24 Q139 W175 W179 2.1.1.8 0001692,0001695,0005654,0005737,0005813,0005829,0006548,0007585,0008168,0008170,0032259,0046539,0070062 P50135 16168438 401 MRSLFSDHGKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKTSNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA 4bds A 2.1 BS03 THA A 1 W82 E197 A328 W430 H438 W79 E194 A325 W425 H433 G116 G117 G149 S198 A199 Y237 V288 F290 E325 H438 G113 G114 G146 S195 A196 Y234 V285 F287 E322 H433 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=25nM -logKd/Ki=7.60, Ki=25nM IC50=23nM, Ki=7nM P06276 23679855 701 IIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAKYGNPQETQNQSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV 7xn1 A 2.85 BS01 THA A 1 W86 E202 Y337 H447 W83 E199 Y328 H438 3.1.1.7 0001507,0001540,0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005634,0005794,0005886,0006581,0007155,0007399,0007416,0009986,0016020,0016787,0017171,0031594,0031623,0032223,0042166,0042802,0042803,0042982,0043083,0043236,0045202,0048471,0050714,0052689,0060041,0095500,0098552,0120162 P22303 601 EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSA 7xn1 B 2.85 BS01 THA B 1 W86 G121 E202 Y337 H447 W83 G118 E199 Y328 H438 3.1.1.7 0001507,0001540,0001919,0002076,0003990,0004104,0005515,0005518,0005576,0005604,0005615,0005634,0005794,0005886,0006581,0007155,0007399,0007416,0009986,0016020,0016787,0017171,0031594,0031623,0032223,0042166,0042802,0042803,0042982,0043083,0043236,0045202,0048471,0050714,0052689,0060041,0095500,0098552,0120162 P22303 601 EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSA 8t5g A 1.92 BS01 THA A 1 N877 Y882 F888 E889 R896 N294 Y299 F305 E306 R313 ? 0005085,0007264 Q07890 38156904 1106 LRLPSPEVYRFVVKDSEENIVFEDNLQSRSGIPIIKGGTVVKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLLIERFEIPEPEPTDADLKRFRKEYVQPVQLRILNVFRHWVEHHFYDFERDLYLLERLESFISSVRGKAMKKWVESIAKIIRRKKQAQANITFESPPPPIEWHISKPGHIETFDLMTLHPIEIARQLTLLESDLYRKVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVEAENFEERVAVLSRIIEILQVFQDLNNFNGVLEIVSAVNSVSVYRLDHTFEALQERKRKILDEAVELSQDHFKKYLVKLKSINPPCVPFFGIYLTNILKTEEGNNDFLTRHGKDLINFSKRRKVAEITGEIQQYQNQPYCLRIEPDMRRFFENLNPMGSASEKEFTDYLFNKSLEIEPRNPKQPPRFPRKSTFSLKSPGIRPNTGR