3vzd A 2.3 BS01 UUL A 1 F173 I174 V177 D178 T196 M272 F288 F303 M306 H311 F168 I169 V172 D173 T191 M257 F273 F288 M291 H296 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 -logKd/Ki=6.30, IC50~0.5uM Ki=16000nM, IC50=35000nM Q9NYA1 23602659 401 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd A 2.3 BS02 UUL A 2 F197 L200 A201 R296 A297 F192 L195 A196 R281 A282 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 -logKd/Ki=6.30, IC50~0.5uM Ki=16000nM, IC50=35000nM Q9NYA1 23602659 402 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd B 2.3 BS01 UUL B 1 F173 I174 V177 D178 T196 L259 M272 F288 F303 H311 F165 I166 V169 D170 T188 L237 M250 F266 F281 H289 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Ki=16000nM, IC50=35000nM Q9NYA1 23602659 401 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd B 2.3 BS02 POP B 1 S79 G80 G82 L83 G111 S112 G113 S71 G72 G74 L75 G103 S104 G105 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 402 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd B 2.3 BS03 MG B 1 G82 G342 E343 G74 G320 E321 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 403 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd C 2.3 BS01 UUL C 1 F173 I174 V177 D178 T196 M272 F288 F303 M306 H311 F168 I169 V172 D173 T191 M254 F270 F285 M288 H293 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Ki=16000nM, IC50=35000nM Q9NYA1 23602659 401 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd C 2.3 BS02 ADP C 1 N22 R24 T54 E55 R56 G80 G82 E86 G111 S112 G113 R185 E343 N17 R19 T49 E50 R51 G75 G77 E81 G106 S107 G108 R180 E325 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 402 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd C 2.3 BS03 MG C 1 G82 G342 E343 G77 G324 E325 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 403 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd D 2.3 BS01 UUL D 1 F173 I174 V177 D178 T196 M272 F288 F303 M306 H311 F168 I169 V172 D173 T191 M257 F273 F288 M291 H296 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Ki=16000nM, IC50=35000nM Q9NYA1 23602659 500 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd E 2.3 BS01 UUL E 1 F173 I174 V177 D178 T196 L268 M272 F288 F303 M306 H311 F165 I166 V169 D170 T188 L248 M252 F268 F283 M286 H291 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Ki=16000nM, IC50=35000nM Q9NYA1 23602659 401 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd E 2.3 BS02 ADP E 1 N22 R24 T54 E55 R56 G80 G82 E86 S112 G113 R185 R191 E343 N14 R16 T46 E47 R48 G72 G74 E78 S104 G105 R177 R183 E323 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 402 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd E 2.3 BS03 MG E 1 G82 G342 E343 G74 G322 E323 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Q9NYA1 23602659 403 GVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG 3vzd F 2.3 BS01 UUL F 1 F173 I174 V177 D178 F192 T196 M272 F288 L299 F303 M306 H311 F168 I169 V172 D173 F187 T191 M254 F270 L281 F285 M288 H293 2.3.1.-,2.7.1.91 0000287,0001568,0001727,0003376,0003677,0005515,0005516,0005524,0005634,0005654,0005737,0005768,0005829,0005886,0005905,0006473,0006629,0006670,0006954,0007420,0008283,0008284,0008289,0008481,0010008,0010800,0010803,0016020,0016301,0016310,0016407,0017050,0019722,0030100,0030139,0030148,0030307,0030335,0031398,0031901,0032651,0032740,0034612,0035556,0035924,0038036,0043066,0043231,0045202,0045766,0045840,0045931,0045987,0046512,0046521,0048146,0050764,0051092,0051721,0070301,0071363,0071897,0090520,0098793,0150077,1900060,1900745,1901224,1903978,1905364 Ki=16000nM, IC50=35000nM Q9NYA1 23602659 500 MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSG