3k5i A 2.0 BS01 ADP A 1 K104 K146 Y152 D153 G154 W183 A184 F186 E189 Q211 S214 E267 K104 K146 Y152 D153 G154 W183 A184 F186 E189 Q211 S214 E267 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 400 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i A 2.0 BS02 MG A 1 E254 E267 E254 E267 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 401 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i A 2.0 BS03 AIR A 1 G13 Q14 L15 E73 I74 Y152 D153 R155 R271 K345 R352 G13 Q14 L15 E73 I74 Y152 D153 R155 R271 K345 R352 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 402 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i B 2.0 BS01 ADP B 1 K104 K146 N157 E181 W183 A184 F186 E189 Q211 F256 C266 E267 K104 K146 N152 E176 W178 A179 F181 E184 Q206 F251 C261 E262 E254 E267 N274 S275 K353 E249 E262 N269 S270 K348 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 400 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i B 2.0 BS02 MG B 1 E254 E267 E249 E262 E254 E267 N274 S275 K353 E249 E262 N269 S270 K348 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 401 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i B 2.0 BS03 AIR B 1 G13 Q14 L15 E73 R271 K345 R352 G13 Q14 L15 E73 R266 K340 R347 E254 E267 N274 S275 K353 E249 E262 N269 S270 K348 4.1.1.21 0004638,0005524,0006189,0046872 -logKd/Ki=4.70, Kd=20uM A1CII2 20050602 402 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRI 3k5i C 2.0 BS01 ADP C 1 K104 K146 Y152 G154 N157 E181 W183 A184 F186 E189 Q211 S214 E267 K104 K146 Y152 G154 N157 E181 W183 A184 F186 E189 Q211 S214 E267 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 400 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRIR 3k5i C 2.0 BS02 MG C 1 E254 E267 E254 E267 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 401 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRIR 3k5i C 2.0 BS03 AIR C 1 G13 Q14 L15 E73 I74 Y152 D153 R155 R271 K345 R352 G13 Q14 L15 E73 I74 Y152 D153 R155 R271 K345 R352 E254 E267 N274 S275 K353 E254 E267 N274 S275 K353 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 402 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDRIR 3k5i D 2.0 BS01 ADP D 1 K104 M144 K146 N157 E181 W183 A184 F186 E189 F256 C266 E267 K102 M142 K144 N150 E174 W176 A177 F179 E182 F249 C259 E260 E254 E267 N274 S275 K353 E247 E260 N267 S268 K346 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 400 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDR 3k5i D 2.0 BS02 MG D 1 E254 E267 E247 E260 E254 E267 N274 S275 K353 E247 E260 N267 S268 K346 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 401 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDR 3k5i D 2.0 BS03 AIR D 1 G13 Q14 L15 E73 I74 R271 K345 R352 G13 Q14 L15 E73 I74 R264 K338 R345 E254 E267 N274 S275 K353 E247 E260 N267 S268 K346 4.1.1.21 0004638,0005524,0006189,0046872 A1CII2 20050602 402 MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGAAPDTHLQAAECALSIPNASIHLYSKGAAKPGRKMGHITVTAPTMHEAETHIQPLIDVVDR