ID 1M72A STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Caspase-1 OS Spodoptera frugiperda CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 49 77 LYS A 3 502 GLU D Protein S 4 FT #SUB 49 77 LYS A 4 503 VAL D Protein S 2 FT #SUB 51 79 ARG A 5 504 ASP D Protein S 11 FT #SUB 107 135 THR A 5 504 ASP D Protein B 3 FT #SUB 108 136 HIS A 4 503 VAL D Protein S 1 FT #SUB 108 136 HIS A 5 504 ASP D Protein A 7 FT #SUB 109 137 GLY A 5 504 ASP D Protein B 4 FT #SUB 109 137 GLY A 6 505 0QE D Protein B 1 FT #SUB 148 176 GLN A 5 504 ASP D Protein S 4 FT #SUB 149 177 ALA A 5 504 ASP D Protein B 3 FT #SUB 150 178 CYS A 5 504 ASP D Protein A 12 FT #SUB 150 178 CYS A 6 505 0QE D Protein A 4 FT #SUB 193 221 PHE A 4 503 VAL D Protein S 6 FT #SUB 194 222 SER A 3 502 GLU D Protein B 1 FT #SUB 194 222 SER A 4 503 VAL D Protein B 3 FT #SUB 194 222 SER A 5 504 ASP D Protein B 1 FT #SUB 195 223 TRP A 2 501 ASP D Protein S 4 FT #SUB 195 223 TRP A 3 502 GLU D Protein A 5 FT #SUB 195 223 TRP A 4 503 VAL D Protein S 4 FT #SUB 196 224 ARG A 1 500 ACE D Protein B 1 FT #SUB 196 224 ARG A 2 501 ASP D Protein B 2 FT #SUB 196 224 ARG A 3 502 GLU D Protein A 14 FT #SUB 196 224 ARG A 4 503 VAL D Protein S 1 FT #SUB 196 224 ARG A 5 504 ASP D Protein S 9 FT #SUB 197 225 ASN A 1 500 ACE D Protein A 5 FT #SUB 197 225 ASN A 2 501 ASP D Protein A 4 FT #SUB 198 226 THR A 1 500 ACE D Protein A 8 FT #SUB 198 226 THR A 3 502 GLU D Protein S 3 FT #SUB 238 266 SER A 2 501 ASP D Protein B 2 FT #SUB 239 267 ASN A 2 501 ASP D Protein A 5 FT #SUB 246 274 MET A 4 503 VAL D Protein S 1 FT #SUB 12 40 ARG A 159 187 ILE B Protein A 4 FT #SUB 12 40 ARG A 160 188 THR B Protein B 7 FT #SUB 13 41 VAL A 160 188 THR B Protein B 2 FT #SUB 14 42 ALA A 159 187 ILE B Protein A 2 FT #SUB 14 42 ALA A 160 188 THR B Protein B 3 FT #SUB 14 42 ALA A 161 189 LEU B Protein A 3 FT #SUB 14 42 ALA A 162 190 SER B Protein B 2 FT #SUB 15 43 ARG A 162 190 SER B Protein B 2 FT #SUB 15 43 ARG A 163 191 ARG B Protein S 3 FT #SUB 16 44 MET A 161 189 LEU B Protein A 2 FT #SUB 16 44 MET A 162 190 SER B Protein A 7 FT #SUB 17 45 PRO A 161 189 LEU B Protein S 1 FT #SUB 20 48 ARG A 234 262 LEU B Protein A 4 FT #SUB 20 48 ARG A 235 263 ASP B Protein S 5 FT #SUB 21 49 ASN A 230 258 GLN B Protein B 1 FT #SUB 22 50 ALA A 230 258 GLN B Protein B 1 FT #SUB 23 51 PRO A 227 255 PHE B Protein A 3 FT #SUB 132 160 ALA A 159 187 ILE B Protein A 2 FT #SUB 139 167 ALA A 161 189 LEU B Protein S 1 FT #SUB 156 184 ASP A 177 205 PRO B Protein S 9 FT #SUB 156 184 ASP A 178 206 VAL B Protein S 11 FT #SUB 156 184 ASP A 179 207 HIS B Protein S 4 FT #SUB 157 185 GLY A 175 203 ARG B Protein B 4 FT #SUB 158 186 GLY A 175 203 ARG B Protein B 1 FT #SUB 158 186 GLY A 176 204 ILE B Protein B 2 FT #SUB 158 186 GLY A 178 206 VAL B Protein B 5 FT #SUB 159 187 ILE A 13 41 VAL B Protein S 1 FT #SUB 159 187 ILE A 14 42 ALA B Protein S 1 FT #SUB 159 187 ILE A 132 160 ALA B Protein S 2 FT #SUB 159 187 ILE A 175 203 ARG B Protein B 7 FT #SUB 159 187 ILE A 176 204 ILE B Protein A 7 FT #SUB 159 187 ILE A 178 206 VAL B Protein B 1 FT #SUB 160 188 THR A 13 41 VAL B Protein B 5 FT #SUB 160 188 THR A 14 42 ALA B Protein B 4 FT #SUB 160 188 THR A 174 202 TYR B Protein B 2 FT #SUB 160 188 THR A 175 203 ARG B Protein A 6 FT #SUB 161 189 LEU A 14 42 ALA B Protein A 3 FT #SUB 161 189 LEU A 15 43 ARG B Protein S 1 FT #SUB 161 189 LEU A 16 44 MET B Protein A 2 FT #SUB 161 189 LEU A 17 45 PRO B Protein S 1 FT #SUB 161 189 LEU A 139 167 ALA B Protein S 1 FT #SUB 161 189 LEU A 173 201 SER B Protein B 3 FT #SUB 161 189 LEU A 174 202 TYR B Protein A 11 FT #SUB 162 190 SER A 14 42 ALA B Protein B 3 FT #SUB 162 190 SER A 15 43 ARG B Protein B 2 FT #SUB 162 190 SER A 16 44 MET B Protein B 9 FT #SUB 162 190 SER A 172 200 THR B Protein A 2 FT #SUB 163 191 ARG A 16 44 MET B Protein B 1 FT #SUB 163 191 ARG A 172 200 THR B Protein B 2 FT #SUB 173 201 SER A 161 189 LEU B Protein A 4 FT #SUB 173 201 SER A 162 190 SER B Protein B 1 FT #SUB 174 202 TYR A 160 188 THR B Protein B 2 FT #SUB 174 202 TYR A 161 189 LEU B Protein A 10 FT #SUB 174 202 TYR A 234 262 LEU B Protein S 2 FT #SUB 175 203 ARG A 157 185 GLY B Protein S 4 FT #SUB 175 203 ARG A 158 186 GLY B Protein S 3 FT #SUB 175 203 ARG A 159 187 ILE B Protein A 7 FT #SUB 175 203 ARG A 160 188 THR B Protein S 7 FT #SUB 175 203 ARG A 233 261 ALA B Protein B 1 FT #SUB 175 203 ARG A 237 265 GLU B Protein S 5 FT #SUB 175 203 ARG A 248 276 GLN B Protein S 1 FT #SUB 175 203 ARG A 250 278 LYS B Protein A 5 FT #SUB 176 204 ILE A 158 186 GLY B Protein B 2 FT #SUB 176 204 ILE A 159 187 ILE B Protein A 8 FT #SUB 176 204 ILE A 234 262 LEU B Protein S 1 FT #SUB 176 204 ILE A 250 278 LYS B Protein B 3 FT #SUB 177 205 PRO A 156 184 ASP B Protein A 9 FT #SUB 177 205 PRO A 233 261 ALA B Protein S 7 FT #SUB 177 205 PRO A 250 278 LYS B Protein A 4 FT #SUB 177 205 PRO A 251 279 GLN B Protein S 5 FT #SUB 178 206 VAL A 156 184 ASP B Protein A 11 FT #SUB 178 206 VAL A 158 186 GLY B Protein A 5 FT #SUB 178 206 VAL A 159 187 ILE B Protein S 1 FT #SUB 179 207 HIS A 156 184 ASP B Protein A 6 FT #SUB 179 207 HIS A 192 220 TYR B Protein S 9 FT #SUB 179 207 HIS A 252 280 VAL B Protein B 2 FT #SUB 180 208 ALA A 252 280 VAL B Protein B 2 FT #SUB 189 217 VAL A 258 286 MET B Protein S 2 FT #SUB 192 220 TYR A 179 207 HIS B Protein S 10 FT #SUB 222 250 LEU A 222 250 LEU B Protein B 1 FT #SUB 222 250 LEU A 226 254 THR B Protein S 1 FT #SUB 226 254 THR A 222 250 LEU B Protein S 1 FT #SUB 226 254 THR A 259 287 LEU B Protein A 3 FT #SUB 226 254 THR A 260 288 THR B Protein A 2 FT #SUB 226 254 THR A 261 289 ARG B Protein S 4 FT #SUB 227 255 PHE A 23 51 PRO B Protein S 1 FT #SUB 229 257 CYS A 259 287 LEU B Protein S 1 FT #SUB 230 258 GLN A 22 50 ALA B Protein S 2 FT #SUB 230 258 GLN A 260 288 THR B Protein A 6 FT #SUB 230 258 GLN A 261 289 ARG B Protein S 4 FT #SUB 233 261 ALA A 175 203 ARG B Protein B 1 FT #SUB 233 261 ALA A 176 204 ILE B Protein B 1 FT #SUB 233 261 ALA A 177 205 PRO B Protein A 5 FT #SUB 233 261 ALA A 260 288 THR B Protein S 1 FT #SUB 234 262 LEU A 20 48 ARG B Protein A 4 FT #SUB 234 262 LEU A 174 202 TYR B Protein S 2 FT #SUB 234 262 LEU A 175 203 ARG B Protein S 1 FT #SUB 234 262 LEU A 176 204 ILE B Protein S 1 FT #SUB 235 263 ASP A 20 48 ARG B Protein S 3 FT #SUB 237 265 GLU A 175 203 ARG B Protein S 5 FT #SUB 248 276 GLN A 175 203 ARG B Protein B 1 FT #SUB 250 278 LYS A 175 203 ARG B Protein S 4 FT #SUB 250 278 LYS A 176 204 ILE B Protein S 2 FT #SUB 250 278 LYS A 177 205 PRO B Protein S 3 FT #SUB 251 279 GLN A 177 205 PRO B Protein B 5 FT #SUB 252 280 VAL A 177 205 PRO B Protein B 1 FT #SUB 252 280 VAL A 179 207 HIS B Protein S 2 FT #SUB 252 280 VAL A 258 286 MET B Protein S 2 FT #SUB 253 281 PRO A 258 286 MET B Protein B 2 FT #SUB 254 282 CYS A 256 284 THR B Protein S 1 FT #SUB 254 282 CYS A 257 285 SER B Protein B 2 FT #SUB 254 282 CYS A 258 286 MET B Protein S 1 FT #SUB 255 283 ILE A 255 283 ILE B Protein B 1 FT #SUB 255 283 ILE A 256 284 THR B Protein B 2 FT #SUB 255 283 ILE A 257 285 SER B Protein A 9 FT #SUB 256 284 THR A 254 282 CYS B Protein S 1 FT #SUB 256 284 THR A 255 283 ILE B Protein B 2 FT #SUB 256 284 THR A 256 284 THR B Protein S 1 FT #SUB 257 285 SER A 254 282 CYS B Protein B 2 FT #SUB 257 285 SER A 255 283 ILE B Protein A 9 FT #SUB 258 286 MET A 189 217 VAL B Protein S 1 FT #SUB 258 286 MET A 252 280 VAL B Protein B 1 FT #SUB 258 286 MET A 253 281 PRO B Protein A 2 FT #SUB 258 286 MET A 254 282 CYS B Protein S 1 FT #SUB 259 287 LEU A 226 254 THR B Protein B 3 FT #SUB 259 287 LEU A 229 257 CYS B Protein B 1 FT #SUB 260 288 THR A 226 254 THR B Protein B 5 FT #SUB 260 288 THR A 229 257 CYS B Protein S 2 FT #SUB 260 288 THR A 230 258 GLN B Protein A 8 FT #SUB 260 288 THR A 233 261 ALA B Protein S 1 FT #SUB 261 289 ARG A 226 254 THR B Protein B 4 FT #SUB 261 289 ARG A 230 258 GLN B Protein S 3 FT #SUB 262 290 LEU A 227 255 PHE B Protein S 2 FT #HET 156 184 ASP A 1 506 EDO A S 5 FT #HET 179 207 HIS A 4 507 EDO B S 3 FT #HET 188 216 THR A 1 506 EDO A A 5 FT #HET 189 217 VAL A 1 506 EDO A A 4 FT #HET 190 218 PRO A 3 505 EDO B S 2 FT #HET 192 220 TYR A 1 506 EDO A S 5 FT #HET 250 278 LYS A 1 506 EDO A B 1 FT #HET 251 279 GLN A 1 506 EDO A A 5 FT #HET 252 280 VAL A 1 506 EDO A B 4 FT DISORDER 1 11 FT DISORDER 164 172 FT DISORDER 268 272 CC SEQUENCE 247 AA (ATOM); CC RVARMPVDRN APYYNMNHKH RGMAIIFNHE HFDIHSLKSR TGTNVDSDNL SKVLKTLGFK CC VTVFPNLKSE EINKFIQQTA EMDHSDADCL LVAVLTHGEL GMLYAKDTHY KPDNLWYYFT CC ADKCPTLAGK PKLFFIQACQ GDRLDGGITL SRSYRIPVHA DFLIAFSTVP GYFSWRNTTR CC GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT CC RLLVFGK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ALGSNSSSQPNRVARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC ATOM -----------RVARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC *************************************** CC SEQRES RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ATOM RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ************************************************** CC SEQRES LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ATOM LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ************************************************** CC SEQRES QGDRLDGGITLSRTETDGSPSTSYRIPVHADFLIAFSTVPGYFSWRNTTR CC ATOM QGDRLDGGITLSR---------SYRIPVHADFLIAFSTVPGYFSWRNTTR CC ************* **************************** CC SEQRES GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ATOM GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ************************************************** CC SEQRES QVPCITSMLTRLLVFGKKQSHL CC ATOM QVPCITSMLTRLLVFGK----- CC ***************** SQ SEQUENCE 272 AA; MW; CN; ALGSNSSSQP NRVARMPVDR NAPYYNMNHK HRGMAIIFNH EHFDIHSLKS RTGTNVDSDN LSKVLKTLGF KVTVFPNLKS EEINKFIQQT AEMDHSDADC LLVAVLTHGE LGMLYAKDTH YKPDNLWYYF TADKCPTLAG KPKLFFIQAC QGDRLDGGIT LSRTETDGSP STSYRIPVHA DFLIAFSTVP GYFSWRNTTR GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT RLLVFGKKQS HL // ID 1M72D STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Ace-Asp-Glu-Val-Asp-chloromethylketone OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 1 500 ACE D 196 224 ARG A Protein B 1 FT #SUB 1 500 ACE D 197 225 ASN A Protein B 5 FT #SUB 1 500 ACE D 198 226 THR A Protein A 8 FT #SUB 2 501 ASP D 195 223 TRP A Protein A 4 FT #SUB 2 501 ASP D 196 224 ARG A Protein B 2 FT #SUB 2 501 ASP D 197 225 ASN A Protein S 4 FT #SUB 2 501 ASP D 238 266 SER A Protein S 2 FT #SUB 2 501 ASP D 239 267 ASN A Protein S 5 FT #SUB 3 502 GLU D 49 77 LYS A Protein S 4 FT #SUB 3 502 GLU D 194 222 SER A Protein B 1 FT #SUB 3 502 GLU D 195 223 TRP A Protein B 5 FT #SUB 3 502 GLU D 196 224 ARG A Protein A 14 FT #SUB 3 502 GLU D 198 226 THR A Protein S 3 FT #SUB 4 503 VAL D 49 77 LYS A Protein B 2 FT #SUB 4 503 VAL D 108 136 HIS A Protein B 1 FT #SUB 4 503 VAL D 193 221 PHE A Protein S 6 FT #SUB 4 503 VAL D 194 222 SER A Protein A 3 FT #SUB 4 503 VAL D 195 223 TRP A Protein S 4 FT #SUB 4 503 VAL D 196 224 ARG A Protein B 1 FT #SUB 4 503 VAL D 246 274 MET A Protein S 1 FT #SUB 5 504 ASP D 51 79 ARG A Protein S 11 FT #SUB 5 504 ASP D 107 135 THR A Protein A 3 FT #SUB 5 504 ASP D 108 136 HIS A Protein B 7 FT #SUB 5 504 ASP D 109 137 GLY A Protein B 4 FT #SUB 5 504 ASP D 148 176 GLN A Protein S 4 FT #SUB 5 504 ASP D 149 177 ALA A Protein A 3 FT #SUB 5 504 ASP D 150 178 CYS A Protein A 12 FT #SUB 5 504 ASP D 194 222 SER A Protein B 1 FT #SUB 5 504 ASP D 196 224 ARG A Protein S 9 FT #SUB 6 505 0QE D 109 137 GLY A Protein S 1 FT #SUB 6 505 0QE D 150 178 CYS A Protein S 4 CC SEQUENCE 5 AA (ATOM); CC XDEVD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XDEVDX CC ATOM XDEVDX CC ****** SQ SEQUENCE 6 AA; MW; CN; XDEVDX // ID 1M72B STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Caspase-1 OS Spodoptera frugiperda CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 13 41 VAL B 159 187 ILE A Protein S 1 FT #SUB 13 41 VAL B 160 188 THR A Protein A 5 FT #SUB 14 42 ALA B 159 187 ILE A Protein S 1 FT #SUB 14 42 ALA B 160 188 THR A Protein A 4 FT #SUB 14 42 ALA B 161 189 LEU A Protein A 3 FT #SUB 14 42 ALA B 162 190 SER A Protein B 3 FT #SUB 15 43 ARG B 161 189 LEU A Protein B 1 FT #SUB 15 43 ARG B 162 190 SER A Protein B 2 FT #SUB 16 44 MET B 161 189 LEU A Protein A 2 FT #SUB 16 44 MET B 162 190 SER A Protein A 9 FT #SUB 16 44 MET B 163 191 ARG A Protein S 1 FT #SUB 17 45 PRO B 161 189 LEU A Protein S 1 FT #SUB 20 48 ARG B 234 262 LEU A Protein A 4 FT #SUB 20 48 ARG B 235 263 ASP A Protein S 3 FT #SUB 22 50 ALA B 230 258 GLN A Protein B 2 FT #SUB 23 51 PRO B 227 255 PHE A Protein B 1 FT #SUB 132 160 ALA B 159 187 ILE A Protein A 2 FT #SUB 139 167 ALA B 161 189 LEU A Protein S 1 FT #SUB 156 184 ASP B 177 205 PRO A Protein S 9 FT #SUB 156 184 ASP B 178 206 VAL A Protein S 11 FT #SUB 156 184 ASP B 179 207 HIS A Protein S 6 FT #SUB 157 185 GLY B 175 203 ARG A Protein B 4 FT #SUB 158 186 GLY B 175 203 ARG A Protein B 3 FT #SUB 158 186 GLY B 176 204 ILE A Protein B 2 FT #SUB 158 186 GLY B 178 206 VAL A Protein B 5 FT #SUB 159 187 ILE B 12 40 ARG A Protein A 4 FT #SUB 159 187 ILE B 14 42 ALA A Protein S 2 FT #SUB 159 187 ILE B 132 160 ALA A Protein S 2 FT #SUB 159 187 ILE B 175 203 ARG A Protein B 7 FT #SUB 159 187 ILE B 176 204 ILE A Protein A 8 FT #SUB 159 187 ILE B 178 206 VAL A Protein B 1 FT #SUB 160 188 THR B 12 40 ARG A Protein A 7 FT #SUB 160 188 THR B 13 41 VAL A Protein B 2 FT #SUB 160 188 THR B 14 42 ALA A Protein B 3 FT #SUB 160 188 THR B 174 202 TYR A Protein B 2 FT #SUB 160 188 THR B 175 203 ARG A Protein A 7 FT #SUB 161 189 LEU B 14 42 ALA A Protein A 3 FT #SUB 161 189 LEU B 16 44 MET A Protein A 2 FT #SUB 161 189 LEU B 17 45 PRO A Protein S 1 FT #SUB 161 189 LEU B 139 167 ALA A Protein S 1 FT #SUB 161 189 LEU B 173 201 SER A Protein B 4 FT #SUB 161 189 LEU B 174 202 TYR A Protein A 10 FT #SUB 162 190 SER B 14 42 ALA A Protein B 2 FT #SUB 162 190 SER B 15 43 ARG A Protein B 2 FT #SUB 162 190 SER B 16 44 MET A Protein B 7 FT #SUB 162 190 SER B 173 201 SER A Protein S 1 FT #SUB 163 191 ARG B 15 43 ARG A Protein S 3 FT #SUB 172 200 THR B 162 190 SER A Protein B 2 FT #SUB 172 200 THR B 163 191 ARG A Protein B 2 FT #SUB 173 201 SER B 161 189 LEU A Protein A 3 FT #SUB 174 202 TYR B 160 188 THR A Protein B 2 FT #SUB 174 202 TYR B 161 189 LEU A Protein A 11 FT #SUB 174 202 TYR B 234 262 LEU A Protein S 2 FT #SUB 175 203 ARG B 157 185 GLY A Protein S 4 FT #SUB 175 203 ARG B 158 186 GLY A Protein S 1 FT #SUB 175 203 ARG B 159 187 ILE A Protein A 7 FT #SUB 175 203 ARG B 160 188 THR A Protein S 6 FT #SUB 175 203 ARG B 233 261 ALA A Protein B 1 FT #SUB 175 203 ARG B 234 262 LEU A Protein B 1 FT #SUB 175 203 ARG B 237 265 GLU A Protein S 5 FT #SUB 175 203 ARG B 248 276 GLN A Protein S 1 FT #SUB 175 203 ARG B 250 278 LYS A Protein A 4 FT #SUB 176 204 ILE B 158 186 GLY A Protein B 2 FT #SUB 176 204 ILE B 159 187 ILE A Protein A 7 FT #SUB 176 204 ILE B 233 261 ALA A Protein B 1 FT #SUB 176 204 ILE B 234 262 LEU A Protein S 1 FT #SUB 176 204 ILE B 250 278 LYS A Protein B 2 FT #SUB 177 205 PRO B 156 184 ASP A Protein A 9 FT #SUB 177 205 PRO B 233 261 ALA A Protein S 5 FT #SUB 177 205 PRO B 250 278 LYS A Protein A 3 FT #SUB 177 205 PRO B 251 279 GLN A Protein S 5 FT #SUB 177 205 PRO B 252 280 VAL A Protein S 1 FT #SUB 178 206 VAL B 156 184 ASP A Protein A 11 FT #SUB 178 206 VAL B 158 186 GLY A Protein A 5 FT #SUB 178 206 VAL B 159 187 ILE A Protein S 1 FT #SUB 179 207 HIS B 156 184 ASP A Protein A 4 FT #SUB 179 207 HIS B 192 220 TYR A Protein S 10 FT #SUB 179 207 HIS B 252 280 VAL A Protein B 2 FT #SUB 189 217 VAL B 258 286 MET A Protein S 1 FT #SUB 192 220 TYR B 179 207 HIS A Protein S 9 FT #SUB 222 250 LEU B 222 250 LEU A Protein S 1 FT #SUB 222 250 LEU B 226 254 THR A Protein S 1 FT #SUB 226 254 THR B 222 250 LEU A Protein S 1 FT #SUB 226 254 THR B 259 287 LEU A Protein A 3 FT #SUB 226 254 THR B 260 288 THR A Protein A 5 FT #SUB 226 254 THR B 261 289 ARG A Protein S 4 FT #SUB 227 255 PHE B 23 51 PRO A Protein S 3 FT #SUB 227 255 PHE B 262 290 LEU A Protein S 2 FT #SUB 229 257 CYS B 259 287 LEU A Protein S 1 FT #SUB 229 257 CYS B 260 288 THR A Protein B 2 FT #SUB 230 258 GLN B 21 49 ASN A Protein S 1 FT #SUB 230 258 GLN B 22 50 ALA A Protein S 1 FT #SUB 230 258 GLN B 260 288 THR A Protein A 8 FT #SUB 230 258 GLN B 261 289 ARG A Protein S 3 FT #SUB 233 261 ALA B 175 203 ARG A Protein B 1 FT #SUB 233 261 ALA B 177 205 PRO A Protein A 7 FT #SUB 233 261 ALA B 260 288 THR A Protein S 1 FT #SUB 234 262 LEU B 20 48 ARG A Protein A 4 FT #SUB 234 262 LEU B 174 202 TYR A Protein S 2 FT #SUB 234 262 LEU B 176 204 ILE A Protein S 1 FT #SUB 235 263 ASP B 20 48 ARG A Protein A 5 FT #SUB 237 265 GLU B 175 203 ARG A Protein S 5 FT #SUB 248 276 GLN B 175 203 ARG A Protein B 1 FT #SUB 250 278 LYS B 175 203 ARG A Protein S 5 FT #SUB 250 278 LYS B 176 204 ILE A Protein S 3 FT #SUB 250 278 LYS B 177 205 PRO A Protein S 4 FT #SUB 251 279 GLN B 177 205 PRO A Protein B 5 FT #SUB 252 280 VAL B 179 207 HIS A Protein S 2 FT #SUB 252 280 VAL B 180 208 ALA A Protein S 2 FT #SUB 252 280 VAL B 258 286 MET A Protein S 1 FT #SUB 253 281 PRO B 258 286 MET A Protein B 2 FT #SUB 254 282 CYS B 256 284 THR A Protein S 1 FT #SUB 254 282 CYS B 257 285 SER A Protein B 2 FT #SUB 254 282 CYS B 258 286 MET A Protein S 1 FT #SUB 255 283 ILE B 255 283 ILE A Protein B 1 FT #SUB 255 283 ILE B 256 284 THR A Protein B 2 FT #SUB 255 283 ILE B 257 285 SER A Protein A 9 FT #SUB 256 284 THR B 254 282 CYS A Protein S 1 FT #SUB 256 284 THR B 255 283 ILE A Protein B 2 FT #SUB 256 284 THR B 256 284 THR A Protein S 1 FT #SUB 257 285 SER B 254 282 CYS A Protein B 2 FT #SUB 257 285 SER B 255 283 ILE A Protein B 9 FT #SUB 258 286 MET B 189 217 VAL A Protein S 2 FT #SUB 258 286 MET B 252 280 VAL A Protein A 2 FT #SUB 258 286 MET B 253 281 PRO A Protein A 2 FT #SUB 258 286 MET B 254 282 CYS A Protein S 1 FT #SUB 259 287 LEU B 226 254 THR A Protein B 3 FT #SUB 259 287 LEU B 229 257 CYS A Protein B 1 FT #SUB 260 288 THR B 226 254 THR A Protein B 2 FT #SUB 260 288 THR B 230 258 GLN A Protein A 6 FT #SUB 260 288 THR B 233 261 ALA A Protein S 1 FT #SUB 261 289 ARG B 226 254 THR A Protein B 4 FT #SUB 261 289 ARG B 230 258 GLN A Protein S 4 FT #SUB 51 79 ARG B 5 504 ASP E Protein S 11 FT #SUB 107 135 THR B 5 504 ASP E Protein B 3 FT #SUB 108 136 HIS B 4 503 VAL E Protein S 1 FT #SUB 108 136 HIS B 5 504 ASP E Protein A 6 FT #SUB 109 137 GLY B 5 504 ASP E Protein B 4 FT #SUB 148 176 GLN B 5 504 ASP E Protein S 4 FT #SUB 149 177 ALA B 5 504 ASP E Protein B 1 FT #SUB 150 178 CYS B 5 504 ASP E Protein A 12 FT #SUB 150 178 CYS B 6 505 0QE E Protein A 4 FT #SUB 193 221 PHE B 4 503 VAL E Protein S 6 FT #SUB 194 222 SER B 3 502 GLU E Protein B 1 FT #SUB 194 222 SER B 4 503 VAL E Protein B 4 FT #SUB 194 222 SER B 5 504 ASP E Protein B 2 FT #SUB 195 223 TRP B 2 501 ASP E Protein S 4 FT #SUB 195 223 TRP B 3 502 GLU E Protein A 5 FT #SUB 195 223 TRP B 4 503 VAL E Protein S 5 FT #SUB 196 224 ARG B 1 500 ACE E Protein B 1 FT #SUB 196 224 ARG B 2 501 ASP E Protein B 2 FT #SUB 196 224 ARG B 3 502 GLU E Protein A 15 FT #SUB 196 224 ARG B 4 503 VAL E Protein S 2 FT #SUB 196 224 ARG B 5 504 ASP E Protein S 8 FT #SUB 197 225 ASN B 1 500 ACE E Protein A 3 FT #SUB 197 225 ASN B 2 501 ASP E Protein S 2 FT #SUB 198 226 THR B 1 500 ACE E Protein A 8 FT #SUB 198 226 THR B 3 502 GLU E Protein S 3 FT #SUB 237 265 GLU B 2 501 ASP E Protein B 1 FT #SUB 238 266 SER B 2 501 ASP E Protein B 2 FT #SUB 239 267 ASN B 2 501 ASP E Protein A 7 FT #SUB 246 274 MET B 4 503 VAL E Protein S 2 FT #HET 17 45 PRO B 2 503 EDO B S 3 FT #HET 18 46 VAL B 2 503 EDO B S 4 FT #HET 25 53 TYR B 2 503 EDO B A 7 FT #HET 26 54 ASN B 2 503 EDO B A 12 FT #HET 29 57 HIS B 2 503 EDO B S 2 FT #HET 99 127 ASP B 2 503 EDO B B 4 FT #HET 140 168 GLY B 2 503 EDO B B 3 FT #HET 141 169 LYS B 2 503 EDO B S 5 FT #HET 142 170 PRO B 2 503 EDO B S 2 FT #HET 156 184 ASP B 4 507 EDO B S 6 FT #HET 179 207 HIS B 1 506 EDO A S 3 FT #HET 184 212 ILE B 3 505 EDO B S 1 FT #HET 186 214 PHE B 3 505 EDO B S 1 FT #HET 188 216 THR B 4 507 EDO B A 4 FT #HET 189 217 VAL B 4 507 EDO B A 3 FT #HET 192 220 TYR B 4 507 EDO B S 3 FT #HET 251 279 GLN B 4 507 EDO B A 7 FT #HET 252 280 VAL B 4 507 EDO B A 7 FT #HET 256 284 THR B 3 505 EDO B S 2 FT DISORDER 1 12 FT DISORDER 164 171 FT DISORDER 269 272 CC SEQUENCE 248 AA (ATOM); CC VARMPVDRNA PYYNMNHKHR GMAIIFNHEH FDIHSLKSRT GTNVDSDNLS KVLKTLGFKV CC TVFPNLKSEE INKFIQQTAE MDHSDADCLL VAVLTHGELG MLYAKDTHYK PDNLWYYFTA CC DKCPTLAGKP KLFFIQACQG DRLDGGITLS RTSYRIPVHA DFLIAFSTVP GYFSWRNTTR CC GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT CC RLLVFGKK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ALGSNSSSQPNRVARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC ATOM ------------VARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC ************************************** CC SEQRES RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ATOM RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ************************************************** CC SEQRES LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ATOM LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ************************************************** CC SEQRES QGDRLDGGITLSRTETDGSPSTSYRIPVHADFLIAFSTVPGYFSWRNTTR CC ATOM QGDRLDGGITLSR--------TSYRIPVHADFLIAFSTVPGYFSWRNTTR CC ************* ***************************** CC SEQRES GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ATOM GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ************************************************** CC SEQRES QVPCITSMLTRLLVFGKKQSHL CC ATOM QVPCITSMLTRLLVFGKK---- CC ****************** SQ SEQUENCE 272 AA; MW; CN; ALGSNSSSQP NRVARMPVDR NAPYYNMNHK HRGMAIIFNH EHFDIHSLKS RTGTNVDSDN LSKVLKTLGF KVTVFPNLKS EEINKFIQQT AEMDHSDADC LLVAVLTHGE LGMLYAKDTH YKPDNLWYYF TADKCPTLAG KPKLFFIQAC QGDRLDGGIT LSRTETDGSP STSYRIPVHA DFLIAFSTVP GYFSWRNTTR GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT RLLVFGKKQS HL // ID 1M72E STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Ace-Asp-Glu-Val-Asp-chloromethylketone OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 1 500 ACE E 196 224 ARG B Protein B 1 FT #SUB 1 500 ACE E 197 225 ASN B Protein B 3 FT #SUB 1 500 ACE E 198 226 THR B Protein A 8 FT #SUB 2 501 ASP E 195 223 TRP B Protein A 4 FT #SUB 2 501 ASP E 196 224 ARG B Protein B 2 FT #SUB 2 501 ASP E 197 225 ASN B Protein S 2 FT #SUB 2 501 ASP E 237 265 GLU B Protein S 1 FT #SUB 2 501 ASP E 238 266 SER B Protein S 2 FT #SUB 2 501 ASP E 239 267 ASN B Protein S 7 FT #SUB 3 502 GLU E 194 222 SER B Protein B 1 FT #SUB 3 502 GLU E 195 223 TRP B Protein B 5 FT #SUB 3 502 GLU E 196 224 ARG B Protein A 15 FT #SUB 3 502 GLU E 198 226 THR B Protein S 3 FT #SUB 4 503 VAL E 108 136 HIS B Protein B 1 FT #SUB 4 503 VAL E 193 221 PHE B Protein S 6 FT #SUB 4 503 VAL E 194 222 SER B Protein A 4 FT #SUB 4 503 VAL E 195 223 TRP B Protein S 5 FT #SUB 4 503 VAL E 196 224 ARG B Protein B 2 FT #SUB 4 503 VAL E 246 274 MET B Protein S 2 FT #SUB 5 504 ASP E 51 79 ARG B Protein S 11 FT #SUB 5 504 ASP E 107 135 THR B Protein A 3 FT #SUB 5 504 ASP E 108 136 HIS B Protein B 6 FT #SUB 5 504 ASP E 109 137 GLY B Protein B 4 FT #SUB 5 504 ASP E 148 176 GLN B Protein S 4 FT #SUB 5 504 ASP E 149 177 ALA B Protein S 1 FT #SUB 5 504 ASP E 150 178 CYS B Protein A 12 FT #SUB 5 504 ASP E 194 222 SER B Protein A 2 FT #SUB 5 504 ASP E 196 224 ARG B Protein S 8 FT #SUB 6 505 0QE E 150 178 CYS B Protein S 4 CC SEQUENCE 5 AA (ATOM); CC XDEVD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XDEVDX CC ATOM XDEVDX CC ****** SQ SEQUENCE 6 AA; MW; CN; XDEVDX // ID 1M72C STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Caspase-1 OS Spodoptera frugiperda CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 51 79 ARG C 5 504 ASP F Protein S 11 FT #SUB 107 135 THR C 5 504 ASP F Protein B 3 FT #SUB 108 136 HIS C 4 503 VAL F Protein S 1 FT #SUB 108 136 HIS C 5 504 ASP F Protein A 7 FT #SUB 109 137 GLY C 5 504 ASP F Protein B 4 FT #SUB 148 176 GLN C 5 504 ASP F Protein S 5 FT #SUB 149 177 ALA C 5 504 ASP F Protein B 1 FT #SUB 150 178 CYS C 5 504 ASP F Protein A 12 FT #SUB 150 178 CYS C 6 505 0QE F Protein A 4 FT #SUB 193 221 PHE C 4 503 VAL F Protein S 6 FT #SUB 194 222 SER C 3 502 GLU F Protein B 1 FT #SUB 194 222 SER C 4 503 VAL F Protein B 4 FT #SUB 194 222 SER C 5 504 ASP F Protein B 1 FT #SUB 195 223 TRP C 2 501 ASP F Protein S 5 FT #SUB 195 223 TRP C 3 502 GLU F Protein A 9 FT #SUB 195 223 TRP C 4 503 VAL F Protein S 6 FT #SUB 196 224 ARG C 1 500 ACE F Protein B 1 FT #SUB 196 224 ARG C 2 501 ASP F Protein B 2 FT #SUB 196 224 ARG C 3 502 GLU F Protein A 15 FT #SUB 196 224 ARG C 4 503 VAL F Protein S 2 FT #SUB 196 224 ARG C 5 504 ASP F Protein S 7 FT #SUB 197 225 ASN C 1 500 ACE F Protein A 6 FT #SUB 197 225 ASN C 2 501 ASP F Protein A 4 FT #SUB 198 226 THR C 1 500 ACE F Protein A 8 FT #SUB 198 226 THR C 3 502 GLU F Protein S 3 FT #SUB 237 265 GLU C 2 501 ASP F Protein B 1 FT #SUB 238 266 SER C 2 501 ASP F Protein B 2 FT #SUB 239 267 ASN C 2 501 ASP F Protein A 6 FT #SUB 246 274 MET C 4 503 VAL F Protein S 1 FT #HET 109 137 GLY C 5 501 EDO C B 1 FT #HET 110 138 GLU C 5 501 EDO C B 5 FT #HET 111 139 LEU C 5 501 EDO C B 2 FT #HET 112 140 GLY C 5 501 EDO C B 5 FT #HET 113 141 MET C 5 501 EDO C B 5 FT #HET 114 142 LEU C 5 501 EDO C S 2 FT #HET 123 151 PRO C 5 501 EDO C S 1 FT #HET 150 178 CYS C 5 501 EDO C B 3 FT #HET 151 179 GLN C 5 501 EDO C A 10 FT #HET 155 183 LEU C 8 508 EDO C B 1 FT #HET 156 184 ASP C 7 504 EDO C S 6 FT #HET 156 184 ASP C 8 508 EDO C B 2 FT #HET 157 185 GLY C 8 508 EDO C B 6 FT #HET 158 186 GLY C 8 508 EDO C B 2 FT #HET 186 214 PHE C 5 501 EDO C S 2 FT #HET 188 216 THR C 7 504 EDO C A 5 FT #HET 189 217 VAL C 7 504 EDO C A 4 FT #HET 192 220 TYR C 7 504 EDO C S 1 FT #HET 220 248 ASP C 6 502 EDO C A 6 FT #HET 221 249 ILE C 6 502 EDO C A 4 FT #HET 222 250 LEU C 6 502 EDO C A 7 FT #HET 250 278 LYS C 7 504 EDO C B 1 FT #HET 251 279 GLN C 7 504 EDO C A 7 FT #HET 252 280 VAL C 7 504 EDO C B 6 FT #HET 259 287 LEU C 6 502 EDO C S 3 FT #HET 261 289 ARG C 6 502 EDO C B 4 FT #HET 262 290 LEU C 6 502 EDO C A 10 FT #HET 263 291 LEU C 6 502 EDO C B 4 FT DISORDER 1 11 FT DISORDER 164 172 CC SEQUENCE 252 AA (ATOM); CC RVARMPVDRN APYYNMNHKH RGMAIIFNHE HFDIHSLKSR TGTNVDSDNL SKVLKTLGFK CC VTVFPNLKSE EINKFIQQTA EMDHSDADCL LVAVLTHGEL GMLYAKDTHY KPDNLWYYFT CC ADKCPTLAGK PKLFFIQACQ GDRLDGGITL SRSYRIPVHA DFLIAFSTVP GYFSWRNTTR CC GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT CC RLLVFGKKQS HL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ALGSNSSSQPNRVARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC ATOM -----------RVARMPVDRNAPYYNMNHKHRGMAIIFNHEHFDIHSLKS CC *************************************** CC SEQRES RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ATOM RTGTNVDSDNLSKVLKTLGFKVTVFPNLKSEEINKFIQQTAEMDHSDADC CC ************************************************** CC SEQRES LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ATOM LLVAVLTHGELGMLYAKDTHYKPDNLWYYFTADKCPTLAGKPKLFFIQAC CC ************************************************** CC SEQRES QGDRLDGGITLSRTETDGSPSTSYRIPVHADFLIAFSTVPGYFSWRNTTR CC ATOM QGDRLDGGITLSR---------SYRIPVHADFLIAFSTVPGYFSWRNTTR CC ************* **************************** CC SEQRES GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ATOM GSWFMQALCEELRYAGTERDILTLLTFVCQKVALDFESNAPDSAMMHQQK CC ************************************************** CC SEQRES QVPCITSMLTRLLVFGKKQSHL CC ATOM QVPCITSMLTRLLVFGKKQSHL CC ********************** SQ SEQUENCE 272 AA; MW; CN; ALGSNSSSQP NRVARMPVDR NAPYYNMNHK HRGMAIIFNH EHFDIHSLKS RTGTNVDSDN LSKVLKTLGF KVTVFPNLKS EEINKFIQQT AEMDHSDADC LLVAVLTHGE LGMLYAKDTH YKPDNLWYYF TADKCPTLAG KPKLFFIQAC QGDRLDGGIT LSRTETDGSP STSYRIPVHA DFLIAFSTVP GYFSWRNTTR GSWFMQALCE ELRYAGTERD ILTLLTFVCQ KVALDFESNA PDSAMMHQQK QVPCITSMLT RLLVFGKKQS HL // ID 1M72F STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 1M72 DE Ace-Asp-Glu-Val-Asp-chloromethylketone OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.183 FT #SUB 1 500 ACE F 196 224 ARG C Protein B 1 FT #SUB 1 500 ACE F 197 225 ASN C Protein A 6 FT #SUB 1 500 ACE F 198 226 THR C Protein A 8 FT #SUB 2 501 ASP F 195 223 TRP C Protein A 5 FT #SUB 2 501 ASP F 196 224 ARG C Protein B 2 FT #SUB 2 501 ASP F 197 225 ASN C Protein S 4 FT #SUB 2 501 ASP F 237 265 GLU C Protein S 1 FT #SUB 2 501 ASP F 238 266 SER C Protein S 2 FT #SUB 2 501 ASP F 239 267 ASN C Protein S 6 FT #SUB 3 502 GLU F 194 222 SER C Protein B 1 FT #SUB 3 502 GLU F 195 223 TRP C Protein B 9 FT #SUB 3 502 GLU F 196 224 ARG C Protein A 15 FT #SUB 3 502 GLU F 198 226 THR C Protein S 3 FT #SUB 4 503 VAL F 108 136 HIS C Protein B 1 FT #SUB 4 503 VAL F 193 221 PHE C Protein S 6 FT #SUB 4 503 VAL F 194 222 SER C Protein A 4 FT #SUB 4 503 VAL F 195 223 TRP C Protein S 6 FT #SUB 4 503 VAL F 196 224 ARG C Protein B 2 FT #SUB 4 503 VAL F 246 274 MET C Protein S 1 FT #SUB 5 504 ASP F 51 79 ARG C Protein S 11 FT #SUB 5 504 ASP F 107 135 THR C Protein A 3 FT #SUB 5 504 ASP F 108 136 HIS C Protein A 7 FT #SUB 5 504 ASP F 109 137 GLY C Protein B 4 FT #SUB 5 504 ASP F 148 176 GLN C Protein S 5 FT #SUB 5 504 ASP F 149 177 ALA C Protein S 1 FT #SUB 5 504 ASP F 150 178 CYS C Protein A 12 FT #SUB 5 504 ASP F 194 222 SER C Protein B 1 FT #SUB 5 504 ASP F 196 224 ARG C Protein S 7 FT #SUB 6 505 0QE F 150 178 CYS C Protein S 4 CC SEQUENCE 5 AA (ATOM); CC XDEVD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XDEVDX CC ATOM XDEVDX CC ****** SQ SEQUENCE 6 AA; MW; CN; XDEVDX //