3nj4 C 2.5 BS03 NAD D 1 K426 Y430 K425 Y429 H55 S78 S83 D131 E156 N181 K186 D190 N191 C195 H301 H353 S361 Q365 H54 S77 S82 D130 E155 N180 K185 D189 N190 C194 H300 H352 S360 Q364 3.13.2.1 0004013,0005515,0005634,0005737,0005783,0005829,0006730,0016787,0033353,0042470,0070062 P23526 21226494 504 SDKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY 3nj4 D 2.5 BS01 NAD C 1 K426 Y430 K424 Y428 H55 S78 S83 D131 E156 N181 K186 D190 N191 C195 H301 H353 S361 Q365 H53 S76 S81 D129 E154 N179 K184 D188 N189 C193 H299 H351 S359 Q363 3.13.2.1 0004013,0005515,0005634,0005737,0005783,0005829,0006730,0016787,0033353,0042470,0070062 P23526 21226494 503 DKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY 3nj4 D 2.5 BS02 NAD D 1 T157 T158 T159 N191 G220 G222 D223 V224 T242 E243 I244 N248 T275 T276 I281 I299 H301 N346 H353 T155 T156 T157 N189 G218 G220 D221 V222 T240 E241 I242 N246 T273 T274 I279 I297 H299 N344 H351 H55 S78 S83 D131 E156 N181 K186 D190 N191 C195 H301 H353 S361 Q365 H53 S76 S81 D129 E154 N179 K184 D188 N189 C193 H299 H351 S359 Q363 3.13.2.1 0004013,0005515,0005634,0005737,0005783,0005829,0006730,0016787,0033353,0042470,0070062 P23526 21226494 504 DKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY 3nj4 D 2.5 BS03 AFX D 1 H55 T57 E59 E156 T157 K186 D190 G352 H353 M358 H53 T55 E57 E154 T155 K184 D188 G350 H351 M356 H55 S78 S83 D131 E156 N181 K186 D190 N191 C195 H301 H353 S361 Q365 H53 S76 S81 D129 E154 N179 K184 D188 N189 C193 H299 H351 S359 Q363 3.13.2.1 0004013,0005515,0005634,0005737,0005783,0005829,0006730,0016787,0033353,0042470,0070062 ic50=0.48uM P23526 21226494 604 DKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY