5kjn A 2.72 BS01 SAM A 1 K17 R19 E135 H137 N182 A203 N206 H207 Y240 Y258 F260 K13 R15 E131 H133 N178 A199 N202 H203 Y236 Y254 F256 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 501 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS02 BU3 A 1 Y39 K115 Y35 K111 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 502 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS03 BU3 A 2 W356 G394 W352 G390 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 503 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS04 BU3 A 3 R122 T123 P124 K127 R118 T119 P120 K123 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 504 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS05 BU3 A 4 R67 W83 R63 W79 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 505 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS06 BU3 A 5 D188 E190 D184 E186 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 507 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS07 6TL A 1 K145 I149 V179 N180 N182 G183 F184 T185 Y240 S257 Y258 F259 K141 I145 V175 N176 N178 G179 F180 T181 Y236 S253 Y254 F255 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 -logKd/Ki=7.77, IC50=0.017uM Q9NRG4 28002961 510 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS08 ZN A 1 C52 C74 C78 C48 C70 C74 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 511 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS09 ZN A 2 C65 C68 H86 C90 C61 C64 H82 C86 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 512 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH 5kjn A 2.72 BS10 ZN A 3 C209 C262 C264 C267 C205 C258 C260 C263 2.1.1.-,2.1.1.354 0000122,0000993,0002039,0005515,0005634,0005654,0005737,0005829,0006325,0006338,0007507,0008168,0008285,0016278,0016279,0018026,0018027,0032259,0042054,0043516,0046872,0046975,0140938,0140999,1901796 Q9NRG4 28002961 513 GLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLEFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH