ID 3CKEA STANDARD; PRT; 320 AA. DT CONVERTED FROM PDB (SEQRES) 3CKE DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.245 FT #SUB 162 162 ARG A 250 250 GLN B Protein S 1 FT #SUB 162 162 ARG A 253 253 ASP B Protein S 3 FT #SUB 163 163 ALA A 250 250 GLN B Protein B 4 FT #SUB 164 164 ARG A 250 250 GLN B Protein A 2 FT #SUB 165 165 PRO A 166 166 MET B Protein S 4 FT #SUB 165 165 PRO A 250 250 GLN B Protein S 1 FT #SUB 165 165 PRO A 251 251 GLU B Protein S 1 FT #SUB 166 166 MET A 165 165 PRO B Protein B 3 FT #SUB 250 250 GLN A 162 162 ARG B Protein B 1 FT #SUB 250 250 GLN A 163 163 ALA B Protein S 4 FT #SUB 250 250 GLN A 164 164 ARG B Protein A 2 FT #SUB 250 250 GLN A 165 165 PRO B Protein S 1 FT #SUB 253 253 ASP A 162 162 ARG B Protein S 2 FT #SUB 106 106 GLU A 198 198 PRO C Protein S 2 FT #SUB 106 106 GLU A 199 199 SER C Protein S 8 FT #SUB 106 106 GLU A 202 202 GLN C Protein S 5 FT #SUB 155 155 ARG A 198 198 PRO C Protein S 4 FT #SUB 155 155 ARG A 202 202 GLN C Protein S 11 FT #SUB 159 159 ASP A 205 205 ARG C Protein S 11 FT #SUB 160 160 ARG A 206 206 GLU C Protein S 4 FT #SUB 162 162 ARG A 173 173 GLU C Protein S 2 FT #SUB 162 162 ARG A 176 176 GLU C Protein S 5 FT #SUB 164 164 ARG A 169 169 GLY C Protein S 2 FT #SUB 164 164 ARG A 173 173 GLU C Protein S 5 FT #SUB 169 169 GLY A 164 164 ARG C Protein B 1 FT #SUB 170 170 GLY A 164 164 ARG C Protein B 2 FT #SUB 173 173 GLU A 164 164 ARG C Protein S 1 FT #SUB 173 173 GLU A 177 177 ARG C Protein S 2 FT #SUB 176 176 GLU A 162 162 ARG C Protein S 4 FT #SUB 177 177 ARG A 173 173 GLU C Protein S 1 FT #SUB 177 177 ARG A 177 177 ARG C Protein S 15 FT #SUB 198 198 PRO A 155 155 ARG C Protein S 1 FT #SUB 202 202 GLN A 106 106 GLU C Protein S 4 FT #SUB 202 202 GLN A 155 155 ARG C Protein S 3 FT #SUB 205 205 ARG A 159 159 ASP C Protein S 3 FT #SUB 168 168 LEU A 251 251 GLU D Protein A 3 FT #SUB 169 169 GLY A 251 251 GLU D Protein B 8 FT #SUB 172 172 LEU A 251 251 GLU D Protein S 2 FT #SUB 172 172 LEU A 252 252 ALA D Protein S 1 FT #SUB 213 213 LYS A 252 252 ALA D Protein S 2 FT #SUB 213 213 LYS A 253 253 ASP D Protein S 2 FT #SUB 251 251 GLU A 169 169 GLY D Protein A 9 FT #SUB 251 251 GLU A 172 172 LEU D Protein B 2 FT #SUB 252 252 ALA A 172 172 LEU D Protein B 1 FT #SUB 252 252 ALA A 213 213 LYS D Protein B 2 FT #SUB 252 252 ALA A 266 266 MET D Protein S 1 FT #SUB 252 252 ALA A 270 270 TRP D Protein B 5 FT #SUB 253 253 ASP A 176 176 GLU D Protein S 1 FT #SUB 253 253 ASP A 213 213 LYS D Protein S 1 FT #SUB 253 253 ASP A 273 273 ARG D Protein A 5 FT #SUB 254 254 VAL A 270 270 TRP D Protein S 2 FT #SUB 258 258 ALA A 269 269 GLU D Protein A 4 FT #SUB 261 261 ARG A 269 269 GLU D Protein S 10 FT #SUB 261 261 ARG A 272 272 LEU D Protein S 1 FT #SUB 262 262 VAL A 262 262 VAL D Protein S 1 FT #SUB 262 262 VAL A 266 266 MET D Protein S 2 FT #SUB 262 262 VAL A 269 269 GLU D Protein S 1 FT #SUB 265 265 VAL A 265 265 VAL D Protein S 1 FT #SUB 266 266 MET A 248 248 LEU D Protein S 1 FT #SUB 266 266 MET A 262 262 VAL D Protein S 1 FT #SUB 269 269 GLU A 258 258 ALA D Protein S 6 FT #SUB 269 269 GLU A 261 261 ARG D Protein S 6 FT #SUB 269 269 GLU A 262 262 VAL D Protein S 1 FT #SUB 270 270 TRP A 252 252 ALA D Protein S 2 FT #SUB 270 270 TRP A 254 254 VAL D Protein S 2 FT #SUB 273 273 ARG A 253 253 ASP D Protein S 7 FT #HET 67 67 TYR A 2 400 FDF A S 5 FT #HET 83 83 LEU A 2 400 FDF A S 1 FT #HET 86 86 LEU A 2 400 FDF A B 1 FT #HET 87 87 PHE A 2 400 FDF A A 7 FT #HET 90 90 ASP A 2 400 FDF A S 5 FT #HET 153 153 PHE A 2 400 FDF A S 5 FT #HET 180 180 GLY A 2 400 FDF A B 1 FT #HET 184 184 LEU A 2 400 FDF A S 5 FT #HET 219 219 ASN A 2 400 FDF A S 3 FT #HET 273 273 ARG A 1 500 CL A S 2 FT #HET 305 305 ASN A 2 400 FDF A S 1 FT #HET 308 308 TRP A 2 400 FDF A S 7 FT #HET 314 314 ARG A 2 400 FDF A S 5 FT #HET 315 315 TYR A 2 400 FDF A S 6 FT DISORDER 1 12 FT DISORDER 231 240 FT DISORDER 318 320 CC SEQUENCE 295 AA (ATOM); CC SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWNFPNEKAR KKFVAAGFSR VTCLYFPKAL CC DDRIHFACRL LTVLFLIDDL LEYMSFEEGS AYNEKLIPIS RGDVLPDRSI PVEYIIYDLW CC ESMRAHDREM ADEILEPVFL FMRAQTDRTR ARPMGLGGYL EYRERDVGKE LLAALMRFSM CC GLKLSPSELQ RVREIDANCS KHLSVVNDIY SYEKELYTLC TSVQILAQEA DVTAEAAKRV CC LFVMCREWEL RHQLLVARLS AEGLETPGLA AYVEGLEYQM SGNELWSQTT LRYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKKPNGTNGASSSLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ATOM ------------SLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ************************************** CC SEQRES ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ATOM ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ************************************************** CC SEQRES GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ATOM GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ************************************************** CC SEQRES FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ATOM FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ************************************************** CC SEQRES LQRVREIDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQ CC ATOM LQRVREIDANCSKHLSVVNDIYSYEKELYT----------LCTSVQILAQ CC ****************************** ********** CC SEQRES EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ATOM EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ************************************************** CC SEQRES QMSGNELWSQTTLRYSVVVD CC ATOM QMSGNELWSQTTLRYSV--- CC ***************** SQ SEQUENCE 320 AA; MW; CN; MKKPNGTNGA SSSLEPPPST FQPLCHPLVE EVSKEVDGYF LQHWNFPNEK ARKKFVAAGF SRVTCLYFPK ALDDRIHFAC RLLTVLFLID DLLEYMSFEE GSAYNEKLIP ISRGDVLPDR SIPVEYIIYD LWESMRAHDR EMADEILEPV FLFMRAQTDR TRARPMGLGG YLEYRERDVG KELLAALMRF SMGLKLSPSE LQRVREIDAN CSKHLSVVND IYSYEKELYT SKTAHSEGGI LCTSVQILAQ EADVTAEAAK RVLFVMCREW ELRHQLLVAR LSAEGLETPG LAAYVEGLEY QMSGNELWSQ TTLRYSVVVD // ID 3CKEB STANDARD; PRT; 320 AA. DT CONVERTED FROM PDB (SEQRES) 3CKE DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.245 FT #SUB 162 162 ARG B 250 250 GLN A Protein S 1 FT #SUB 162 162 ARG B 253 253 ASP A Protein S 2 FT #SUB 163 163 ALA B 250 250 GLN A Protein B 4 FT #SUB 164 164 ARG B 250 250 GLN A Protein A 2 FT #SUB 165 165 PRO B 166 166 MET A Protein S 3 FT #SUB 165 165 PRO B 250 250 GLN A Protein S 1 FT #SUB 166 166 MET B 165 165 PRO A Protein B 4 FT #SUB 250 250 GLN B 162 162 ARG A Protein B 1 FT #SUB 250 250 GLN B 163 163 ALA A Protein S 4 FT #SUB 250 250 GLN B 164 164 ARG A Protein A 2 FT #SUB 250 250 GLN B 165 165 PRO A Protein S 1 FT #SUB 251 251 GLU B 165 165 PRO A Protein S 1 FT #SUB 253 253 ASP B 162 162 ARG A Protein S 3 FT #SUB 168 168 LEU B 251 251 GLU C Protein A 4 FT #SUB 169 169 GLY B 251 251 GLU C Protein B 10 FT #SUB 172 172 LEU B 251 251 GLU C Protein S 2 FT #SUB 213 213 LYS B 252 252 ALA C Protein S 2 FT #SUB 213 213 LYS B 253 253 ASP C Protein S 2 FT #SUB 251 251 GLU B 168 168 LEU C Protein S 1 FT #SUB 251 251 GLU B 169 169 GLY C Protein A 6 FT #SUB 251 251 GLU B 172 172 LEU C Protein B 2 FT #SUB 252 252 ALA B 172 172 LEU C Protein B 1 FT #SUB 252 252 ALA B 213 213 LYS C Protein B 2 FT #SUB 252 252 ALA B 270 270 TRP C Protein B 3 FT #SUB 253 253 ASP B 213 213 LYS C Protein S 1 FT #SUB 253 253 ASP B 273 273 ARG C Protein A 6 FT #SUB 254 254 VAL B 270 270 TRP C Protein S 2 FT #SUB 258 258 ALA B 269 269 GLU C Protein A 5 FT #SUB 261 261 ARG B 269 269 GLU C Protein S 9 FT #SUB 261 261 ARG B 272 272 LEU C Protein S 1 FT #SUB 262 262 VAL B 266 266 MET C Protein S 1 FT #SUB 262 262 VAL B 269 269 GLU C Protein S 1 FT #SUB 266 266 MET B 248 248 LEU C Protein S 1 FT #SUB 266 266 MET B 262 262 VAL C Protein S 1 FT #SUB 269 269 GLU B 258 258 ALA C Protein S 4 FT #SUB 269 269 GLU B 261 261 ARG C Protein S 10 FT #SUB 269 269 GLU B 262 262 VAL C Protein S 1 FT #SUB 270 270 TRP B 252 252 ALA C Protein S 2 FT #SUB 270 270 TRP B 254 254 VAL C Protein S 2 FT #SUB 272 272 LEU B 261 261 ARG C Protein S 1 FT #SUB 273 273 ARG B 253 253 ASP C Protein S 4 FT #SUB 106 106 GLU B 199 199 SER D Protein S 2 FT #SUB 155 155 ARG B 198 198 PRO D Protein S 4 FT #SUB 155 155 ARG B 199 199 SER D Protein S 2 FT #SUB 155 155 ARG B 202 202 GLN D Protein S 5 FT #SUB 159 159 ASP B 205 205 ARG D Protein S 2 FT #SUB 160 160 ARG B 206 206 GLU D Protein S 5 FT #SUB 160 160 ARG B 280 280 ARG D Protein S 2 FT #SUB 162 162 ARG B 176 176 GLU D Protein S 4 FT #SUB 164 164 ARG B 169 169 GLY D Protein S 4 FT #SUB 164 164 ARG B 170 170 GLY D Protein S 2 FT #SUB 164 164 ARG B 173 173 GLU D Protein S 5 FT #SUB 169 169 GLY B 164 164 ARG D Protein B 2 FT #SUB 170 170 GLY B 164 164 ARG D Protein B 3 FT #SUB 177 177 ARG B 173 173 GLU D Protein S 1 FT #SUB 177 177 ARG B 177 177 ARG D Protein S 11 FT #SUB 202 202 GLN B 155 155 ARG D Protein S 1 FT #HET 25 25 CYS B 3 1271 BME B S 4 FT #HET 67 67 TYR B 4 401 FDF B S 4 FT #HET 86 86 LEU B 4 401 FDF B A 2 FT #HET 87 87 PHE B 4 401 FDF B A 3 FT #HET 90 90 ASP B 4 401 FDF B S 4 FT #HET 153 153 PHE B 4 401 FDF B S 7 FT #HET 184 184 LEU B 4 401 FDF B S 3 FT #HET 219 219 ASN B 4 401 FDF B S 1 FT #HET 305 305 ASN B 4 401 FDF B S 2 FT #HET 308 308 TRP B 4 401 FDF B S 3 FT #HET 314 314 ARG B 4 401 FDF B S 6 FT #HET 315 315 TYR B 4 401 FDF B S 1 FT DISORDER 1 12 FT DISORDER 232 239 FT DISORDER 318 320 CC SEQUENCE 297 AA (ATOM); CC SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWNFPNEKAR KKFVAAGFSR VTCLYFPKAL CC DDRIHFACRL LTVLFLIDDL LEYMSFEEGS AYNEKLIPIS RGDVLPDRSI PVEYIIYDLW CC ESMRAHDREM ADEILEPVFL FMRAQTDRTR ARPMGLGGYL EYRERDVGKE LLAALMRFSM CC GLKLSPSELQ RVREIDANCS KHLSVVNDIY SYEKELYTSI LCTSVQILAQ EADVTAEAAK CC RVLFVMCREW ELRHQLLVAR LSAEGLETPG LAAYVEGLEY QMSGNELWSQ TTLRYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKKPNGTNGASSSLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ATOM ------------SLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ************************************** CC SEQRES ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ATOM ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ************************************************** CC SEQRES GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ATOM GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ************************************************** CC SEQRES FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ATOM FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ************************************************** CC SEQRES LQRVREIDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQ CC ATOM LQRVREIDANCSKHLSVVNDIYSYEKELYTS--------ILCTSVQILAQ CC ******************************* *********** CC SEQRES EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ATOM EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ************************************************** CC SEQRES QMSGNELWSQTTLRYSVVVD CC ATOM QMSGNELWSQTTLRYSV--- CC ***************** SQ SEQUENCE 320 AA; MW; CN; MKKPNGTNGA SSSLEPPPST FQPLCHPLVE EVSKEVDGYF LQHWNFPNEK ARKKFVAAGF SRVTCLYFPK ALDDRIHFAC RLLTVLFLID DLLEYMSFEE GSAYNEKLIP ISRGDVLPDR SIPVEYIIYD LWESMRAHDR EMADEILEPV FLFMRAQTDR TRARPMGLGG YLEYRERDVG KELLAALMRF SMGLKLSPSE LQRVREIDAN CSKHLSVVND IYSYEKELYT SKTAHSEGGI LCTSVQILAQ EADVTAEAAK RVLFVMCREW ELRHQLLVAR LSAEGLETPG LAAYVEGLEY QMSGNELWSQ TTLRYSVVVD // ID 3CKEC STANDARD; PRT; 320 AA. DT CONVERTED FROM PDB (SEQRES) 3CKE DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.245 FT #SUB 106 106 GLU C 202 202 GLN A Protein S 4 FT #SUB 155 155 ARG C 198 198 PRO A Protein S 1 FT #SUB 155 155 ARG C 202 202 GLN A Protein S 3 FT #SUB 159 159 ASP C 205 205 ARG A Protein S 3 FT #SUB 162 162 ARG C 176 176 GLU A Protein S 4 FT #SUB 164 164 ARG C 169 169 GLY A Protein S 1 FT #SUB 164 164 ARG C 170 170 GLY A Protein S 2 FT #SUB 164 164 ARG C 173 173 GLU A Protein S 1 FT #SUB 169 169 GLY C 164 164 ARG A Protein B 2 FT #SUB 173 173 GLU C 162 162 ARG A Protein S 2 FT #SUB 173 173 GLU C 164 164 ARG A Protein S 5 FT #SUB 173 173 GLU C 177 177 ARG A Protein S 1 FT #SUB 176 176 GLU C 162 162 ARG A Protein S 5 FT #SUB 177 177 ARG C 173 173 GLU A Protein S 2 FT #SUB 177 177 ARG C 177 177 ARG A Protein S 15 FT #SUB 198 198 PRO C 106 106 GLU A Protein A 2 FT #SUB 198 198 PRO C 155 155 ARG A Protein S 4 FT #SUB 199 199 SER C 106 106 GLU A Protein A 8 FT #SUB 202 202 GLN C 106 106 GLU A Protein S 5 FT #SUB 202 202 GLN C 155 155 ARG A Protein S 11 FT #SUB 205 205 ARG C 159 159 ASP A Protein S 11 FT #SUB 206 206 GLU C 160 160 ARG A Protein S 4 FT #SUB 168 168 LEU C 251 251 GLU B Protein B 1 FT #SUB 169 169 GLY C 251 251 GLU B Protein B 6 FT #SUB 172 172 LEU C 251 251 GLU B Protein S 2 FT #SUB 172 172 LEU C 252 252 ALA B Protein S 1 FT #SUB 213 213 LYS C 252 252 ALA B Protein S 2 FT #SUB 213 213 LYS C 253 253 ASP B Protein S 1 FT #SUB 248 248 LEU C 266 266 MET B Protein S 1 FT #SUB 251 251 GLU C 168 168 LEU B Protein S 4 FT #SUB 251 251 GLU C 169 169 GLY B Protein A 10 FT #SUB 251 251 GLU C 172 172 LEU B Protein B 2 FT #SUB 252 252 ALA C 213 213 LYS B Protein B 2 FT #SUB 252 252 ALA C 270 270 TRP B Protein B 2 FT #SUB 253 253 ASP C 213 213 LYS B Protein S 2 FT #SUB 253 253 ASP C 273 273 ARG B Protein A 4 FT #SUB 254 254 VAL C 270 270 TRP B Protein S 2 FT #SUB 258 258 ALA C 269 269 GLU B Protein A 4 FT #SUB 261 261 ARG C 269 269 GLU B Protein S 10 FT #SUB 261 261 ARG C 272 272 LEU B Protein S 1 FT #SUB 262 262 VAL C 266 266 MET B Protein S 1 FT #SUB 262 262 VAL C 269 269 GLU B Protein S 1 FT #SUB 266 266 MET C 262 262 VAL B Protein S 1 FT #SUB 269 269 GLU C 258 258 ALA B Protein S 5 FT #SUB 269 269 GLU C 261 261 ARG B Protein S 9 FT #SUB 269 269 GLU C 262 262 VAL B Protein S 1 FT #SUB 270 270 TRP C 252 252 ALA B Protein S 3 FT #SUB 270 270 TRP C 254 254 VAL B Protein S 2 FT #SUB 272 272 LEU C 261 261 ARG B Protein S 1 FT #SUB 273 273 ARG C 253 253 ASP B Protein S 6 FT #SUB 162 162 ARG C 250 250 GLN D Protein S 1 FT #SUB 162 162 ARG C 253 253 ASP D Protein S 1 FT #SUB 163 163 ALA C 250 250 GLN D Protein A 8 FT #SUB 165 165 PRO C 250 250 GLN D Protein S 1 FT #SUB 250 250 GLN C 164 164 ARG D Protein B 1 FT #SUB 250 250 GLN C 165 165 PRO D Protein S 2 FT #SUB 251 251 GLU C 165 165 PRO D Protein S 1 FT #HET 58 58 ALA C 6 2647 GOL C B 1 FT #HET 60 60 PHE C 6 2647 GOL C S 1 FT #HET 63 63 VAL C 6 2647 GOL C S 1 FT #HET 67 67 TYR C 5 402 FDF C S 1 FT #HET 83 83 LEU C 5 402 FDF C S 1 FT #HET 87 87 PHE C 5 402 FDF C A 9 FT #HET 87 87 PHE C 6 2647 GOL C S 2 FT #HET 90 90 ASP C 5 402 FDF C S 4 FT #HET 153 153 PHE C 5 402 FDF C S 5 FT #HET 157 157 GLN C 5 402 FDF C S 2 FT #HET 180 180 GLY C 5 402 FDF C B 2 FT #HET 184 184 LEU C 5 402 FDF C S 5 FT #HET 219 219 ASN C 5 402 FDF C S 2 FT #HET 308 308 TRP C 6 2647 GOL C S 1 FT #HET 312 312 THR C 6 2647 GOL C S 5 FT #HET 314 314 ARG C 5 402 FDF C S 12 FT #HET 314 314 ARG C 6 2647 GOL C A 10 FT #HET 315 315 TYR C 5 402 FDF C S 4 FT DISORDER 1 12 FT DISORDER 231 240 FT DISORDER 318 320 CC SEQUENCE 295 AA (ATOM); CC SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWNFPNEKAR KKFVAAGFSR VTCLYFPKAL CC DDRIHFACRL LTVLFLIDDL LEYMSFEEGS AYNEKLIPIS RGDVLPDRSI PVEYIIYDLW CC ESMRAHDREM ADEILEPVFL FMRAQTDRTR ARPMGLGGYL EYRERDVGKE LLAALMRFSM CC GLKLSPSELQ RVREIDANCS KHLSVVNDIY SYEKELYTLC TSVQILAQEA DVTAEAAKRV CC LFVMCREWEL RHQLLVARLS AEGLETPGLA AYVEGLEYQM SGNELWSQTT LRYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKKPNGTNGASSSLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ATOM ------------SLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ************************************** CC SEQRES ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ATOM ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ************************************************** CC SEQRES GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ATOM GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ************************************************** CC SEQRES FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ATOM FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ************************************************** CC SEQRES LQRVREIDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQ CC ATOM LQRVREIDANCSKHLSVVNDIYSYEKELYT----------LCTSVQILAQ CC ****************************** ********** CC SEQRES EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ATOM EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ************************************************** CC SEQRES QMSGNELWSQTTLRYSVVVD CC ATOM QMSGNELWSQTTLRYSV--- CC ***************** SQ SEQUENCE 320 AA; MW; CN; MKKPNGTNGA SSSLEPPPST FQPLCHPLVE EVSKEVDGYF LQHWNFPNEK ARKKFVAAGF SRVTCLYFPK ALDDRIHFAC RLLTVLFLID DLLEYMSFEE GSAYNEKLIP ISRGDVLPDR SIPVEYIIYD LWESMRAHDR EMADEILEPV FLFMRAQTDR TRARPMGLGG YLEYRERDVG KELLAALMRF SMGLKLSPSE LQRVREIDAN CSKHLSVVND IYSYEKELYT SKTAHSEGGI LCTSVQILAQ EADVTAEAAK RVLFVMCREW ELRHQLLVAR LSAEGLETPG LAAYVEGLEY QMSGNELWSQ TTLRYSVVVD // ID 3CKED STANDARD; PRT; 320 AA. DT CONVERTED FROM PDB (SEQRES) 3CKE DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.245 FT #SUB 169 169 GLY D 251 251 GLU A Protein B 9 FT #SUB 172 172 LEU D 251 251 GLU A Protein S 2 FT #SUB 172 172 LEU D 252 252 ALA A Protein S 1 FT #SUB 176 176 GLU D 253 253 ASP A Protein S 1 FT #SUB 213 213 LYS D 252 252 ALA A Protein S 2 FT #SUB 213 213 LYS D 253 253 ASP A Protein S 1 FT #SUB 248 248 LEU D 266 266 MET A Protein S 1 FT #SUB 251 251 GLU D 168 168 LEU A Protein S 3 FT #SUB 251 251 GLU D 169 169 GLY A Protein A 8 FT #SUB 251 251 GLU D 172 172 LEU A Protein B 2 FT #SUB 252 252 ALA D 172 172 LEU A Protein B 1 FT #SUB 252 252 ALA D 213 213 LYS A Protein B 2 FT #SUB 252 252 ALA D 270 270 TRP A Protein B 2 FT #SUB 253 253 ASP D 213 213 LYS A Protein S 2 FT #SUB 253 253 ASP D 273 273 ARG A Protein A 7 FT #SUB 254 254 VAL D 270 270 TRP A Protein S 2 FT #SUB 258 258 ALA D 269 269 GLU A Protein A 6 FT #SUB 261 261 ARG D 269 269 GLU A Protein S 6 FT #SUB 262 262 VAL D 262 262 VAL A Protein S 1 FT #SUB 262 262 VAL D 266 266 MET A Protein S 1 FT #SUB 262 262 VAL D 269 269 GLU A Protein S 1 FT #SUB 265 265 VAL D 265 265 VAL A Protein S 1 FT #SUB 266 266 MET D 252 252 ALA A Protein S 1 FT #SUB 266 266 MET D 262 262 VAL A Protein S 2 FT #SUB 269 269 GLU D 258 258 ALA A Protein S 4 FT #SUB 269 269 GLU D 261 261 ARG A Protein S 10 FT #SUB 269 269 GLU D 262 262 VAL A Protein S 1 FT #SUB 270 270 TRP D 252 252 ALA A Protein S 5 FT #SUB 270 270 TRP D 254 254 VAL A Protein S 2 FT #SUB 272 272 LEU D 261 261 ARG A Protein S 1 FT #SUB 273 273 ARG D 253 253 ASP A Protein S 5 FT #SUB 155 155 ARG D 202 202 GLN B Protein S 1 FT #SUB 164 164 ARG D 169 169 GLY B Protein S 2 FT #SUB 164 164 ARG D 170 170 GLY B Protein S 3 FT #SUB 169 169 GLY D 164 164 ARG B Protein B 4 FT #SUB 170 170 GLY D 164 164 ARG B Protein B 2 FT #SUB 173 173 GLU D 164 164 ARG B Protein S 5 FT #SUB 173 173 GLU D 177 177 ARG B Protein S 1 FT #SUB 176 176 GLU D 162 162 ARG B Protein S 4 FT #SUB 177 177 ARG D 177 177 ARG B Protein S 11 FT #SUB 198 198 PRO D 155 155 ARG B Protein A 4 FT #SUB 199 199 SER D 106 106 GLU B Protein A 2 FT #SUB 199 199 SER D 155 155 ARG B Protein B 2 FT #SUB 202 202 GLN D 155 155 ARG B Protein S 5 FT #SUB 205 205 ARG D 159 159 ASP B Protein S 2 FT #SUB 206 206 GLU D 160 160 ARG B Protein S 5 FT #SUB 280 280 ARG D 160 160 ARG B Protein S 2 FT #SUB 164 164 ARG D 250 250 GLN C Protein S 1 FT #SUB 165 165 PRO D 250 250 GLN C Protein S 2 FT #SUB 165 165 PRO D 251 251 GLU C Protein S 1 FT #SUB 250 250 GLN D 162 162 ARG C Protein B 1 FT #SUB 250 250 GLN D 163 163 ALA C Protein A 8 FT #SUB 250 250 GLN D 165 165 PRO C Protein S 1 FT #SUB 253 253 ASP D 162 162 ARG C Protein S 1 FT #HET 25 25 CYS D 9 1272 BME D S 5 FT #HET 29 29 VAL D 9 1272 BME D S 2 FT #HET 62 62 ARG D 9 1272 BME D A 8 FT #HET 65 65 CYS D 9 1272 BME D A 2 FT #HET 66 66 LEU D 9 1272 BME D A 2 FT #HET 90 90 ASP D 8 702 MG D S 3 FT #HET 90 90 ASP D 10 5963 POP D S 1 FT #HET 219 219 ASN D 7 701 MG D S 2 FT #HET 219 219 ASN D 10 5963 POP D S 7 FT #HET 223 223 SER D 7 701 MG D S 2 FT #HET 223 223 SER D 10 5963 POP D S 2 FT #HET 227 227 GLU D 7 701 MG D S 4 FT #HET 227 227 GLU D 10 5963 POP D S 4 FT #HET 255 255 THR D 1 500 CL A S 1 FT #HET 314 314 ARG D 10 5963 POP D S 5 FT #HET 315 315 TYR D 10 5963 POP D S 6 FT DISORDER 1 12 FT DISORDER 45 49 FT DISORDER 55 55 FT DISORDER 95 97 FT DISORDER 163 163 FT DISORDER 230 240 FT DISORDER 318 320 CC SEQUENCE 284 AA (ATOM); CC SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWKARKKVAA GFSRVTCLYF PKALDDRIHF CC ACRLLTVLFL IDDLLEFEEG SAYNEKLIPI SRGDVLPDRS IPVEYIIYDL WESMRAHDRE CC MADEILEPVF LFMRAQTDRT RRPMGLGGYL EYRERDVGKE LLAALMRFSM GLKLSPSELQ CC RVREIDANCS KHLSVVNDIY SYEKELYLCT SVQILAQEAD VTAEAAKRVL FVMCREWELR CC HQLLVARLSA EGLETPGLAA YVEGLEYQMS GNELWSQTTL RYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKKPNGTNGASSSLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEK CC ATOM ------------SLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHW-----K CC ******************************** * CC SEQRES ARKKFVAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEE CC ATOM ARKK-VAAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLE---FEE CC **** *************************************** *** CC SEQRES GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ATOM GSAYNEKLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPV CC ************************************************** CC SEQRES FLFMRAQTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ATOM FLFMRAQTDRTR-RPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSE CC ************ ************************************* CC SEQRES LQRVREIDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQ CC ATOM LQRVREIDANCSKHLSVVNDIYSYEKELY-----------LCTSVQILAQ CC ***************************** ********** CC SEQRES EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ATOM EADVTAEAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEY CC ************************************************** CC SEQRES QMSGNELWSQTTLRYSVVVD CC ATOM QMSGNELWSQTTLRYSV--- CC ***************** SQ SEQUENCE 320 AA; MW; CN; MKKPNGTNGA SSSLEPPPST FQPLCHPLVE EVSKEVDGYF LQHWNFPNEK ARKKFVAAGF SRVTCLYFPK ALDDRIHFAC RLLTVLFLID DLLEYMSFEE GSAYNEKLIP ISRGDVLPDR SIPVEYIIYD LWESMRAHDR EMADEILEPV FLFMRAQTDR TRARPMGLGG YLEYRERDVG KELLAALMRF SMGLKLSPSE LQRVREIDAN CSKHLSVVND IYSYEKELYT SKTAHSEGGI LCTSVQILAQ EADVTAEAAK RVLFVMCREW ELRHQLLVAR LSAEGLETPG LAAYVEGLEY QMSGNELWSQ TTLRYSVVVD //