ID 5IMNA STANDARD; PRT; 314 AA. DT CONVERTED FROM PDB (SEQRES) 5IMN DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.530 CC R-Factor 0.197 FT #SUB 21 21 PRO A 36 36 GLN B Protein B 3 FT #SUB 22 22 LEU A 36 36 GLN B Protein B 1 FT #SUB 24 24 GLU A 36 36 GLN B Protein A 6 FT #SUB 24 24 GLU A 37 37 HIS B Protein S 3 FT #SUB 24 24 GLU A 120 120 TYR B Protein S 1 FT #SUB 25 25 GLU A 36 36 GLN B Protein B 1 FT #SUB 305 305 THR A 111 111 LEU B Protein S 2 FT #HET 61 61 TYR A 6 406 JF1 A S 8 FT #HET 80 80 LEU A 6 406 JF1 A B 2 FT #HET 81 81 PHE A 1 401 POP A S 1 FT #HET 81 81 PHE A 6 406 JF1 A A 8 FT #HET 84 84 ASP A 1 401 POP A S 5 FT #HET 84 84 ASP A 2 402 MG A S 3 FT #HET 84 84 ASP A 3 403 MG A S 3 FT #HET 88 88 GLU A 3 403 MG A S 1 FT #HET 107 107 ARG A 5 405 GOL A S 2 FT #HET 142 142 GLU A 5 405 GOL A S 5 FT #HET 147 147 PHE A 6 406 JF1 A S 1 FT #HET 149 149 ARG A 5 405 GOL A S 5 FT #HET 169 169 ARG A 1 401 POP A S 8 FT #HET 173 173 VAL A 6 406 JF1 A A 7 FT #HET 178 178 LEU A 6 406 JF1 A S 1 FT #HET 209 209 LEU A 6 406 JF1 A B 1 FT #HET 213 213 ASN A 1 401 POP A S 8 FT #HET 213 213 ASN A 4 404 MG A S 3 FT #HET 213 213 ASN A 6 406 JF1 A S 4 FT #HET 217 217 SER A 1 401 POP A S 2 FT #HET 217 217 SER A 4 404 MG A S 2 FT #HET 220 220 LYS A 1 401 POP A S 5 FT #HET 221 221 GLU A 1 401 POP A S 2 FT #HET 221 221 GLU A 4 404 MG A S 3 FT #HET 308 308 ARG A 1 401 POP A S 6 FT #HET 309 309 TYR A 1 401 POP A S 7 FT DISORDER 1 7 FT DISORDER 312 314 CC SEQUENCE 304 AA (ATOM); CC LEPPPSTFQP LCHPLVEEVS KEVDGYFLQH WNFPNEKARK KFVAAGFSRV TCLYFPKALD CC DRIHFACRLL TVLFLIDDLL EYMSFEEGSA YNEKLIPISR GDVLPDRSIP VEYIIYDLWE CC SMRAHDREMA DEILEPVFLF MRAQTDRTRA RPMGLGGYLE YRERDVGKEL LAALMRFSMG CC LKLSPSELQR VREIDANCSK HLSVVNDIYS YEKELYTSKT AHSEGGILCT SVQILAQEAD CC VTAEAAKRVL FVMCREWELR HQLLVARLSA EGLETPGLAA YVEGLEYQMS GAELWAQTTL CC RYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MHHHHHHLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ATOM -------LEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ******************************************* CC SEQRES AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ATOM AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ************************************************** CC SEQRES KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ATOM KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ************************************************** CC SEQRES QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ATOM QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ************************************************** CC SEQRES IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ATOM IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ************************************************** CC SEQRES EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ATOM EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ************************************************** CC SEQRES LWAQTTLRYSVVVD CC ATOM LWAQTTLRYSV--- CC *********** SQ SEQUENCE 314 AA; MW; CN; MHHHHHHLEP PPSTFQPLCH PLVEEVSKEV DGYFLQHWNF PNEKARKKFV AAGFSRVTCL YFPKALDDRI HFACRLLTVL FLIDDLLEYM SFEEGSAYNE KLIPISRGDV LPDRSIPVEY IIYDLWESMR AHDREMADEI LEPVFLFMRA QTDRTRARPM GLGGYLEYRE RDVGKELLAA LMRFSMGLKL SPSELQRVRE IDANCSKHLS VVNDIYSYEK ELYTSKTAHS EGGILCTSVQ ILAQEADVTA EAAKRVLFVM CREWELRHQL LVARLSAEGL ETPGLAAYVE GLEYQMSGAE LWAQTTLRYS VVVD // ID 5IMNB STANDARD; PRT; 314 AA. DT CONVERTED FROM PDB (SEQRES) 5IMN DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.530 CC R-Factor 0.197 FT #SUB 36 36 GLN B 21 21 PRO A Protein S 3 FT #SUB 36 36 GLN B 22 22 LEU A Protein S 1 FT #SUB 36 36 GLN B 24 24 GLU A Protein A 6 FT #SUB 36 36 GLN B 25 25 GLU A Protein S 1 FT #SUB 37 37 HIS B 24 24 GLU A Protein S 3 FT #SUB 111 111 LEU B 305 305 THR A Protein S 2 FT #SUB 120 120 TYR B 24 24 GLU A Protein S 1 FT #SUB 158 158 ARG B 163 163 GLY D Protein S 1 FT #SUB 158 158 ARG B 164 164 GLY D Protein S 1 FT #SUB 164 164 GLY B 158 158 ARG D Protein B 5 FT #SUB 167 167 GLU B 158 158 ARG D Protein S 1 FT #HET 61 61 TYR B 11 405 JF1 B S 7 FT #HET 80 80 LEU B 11 405 JF1 B B 2 FT #HET 81 81 PHE B 7 401 POP B S 1 FT #HET 81 81 PHE B 11 405 JF1 B A 6 FT #HET 84 84 ASP B 7 401 POP B S 4 FT #HET 84 84 ASP B 8 402 MG B S 3 FT #HET 84 84 ASP B 9 403 MG B S 3 FT #HET 88 88 GLU B 9 403 MG B S 1 FT #HET 147 147 PHE B 11 405 JF1 B S 2 FT #HET 169 169 ARG B 7 401 POP B S 8 FT #HET 172 172 ASP B 8 402 MG B S 2 FT #HET 172 172 ASP B 11 405 JF1 B B 1 FT #HET 173 173 VAL B 11 405 JF1 B B 6 FT #HET 178 178 LEU B 11 405 JF1 B S 1 FT #HET 209 209 LEU B 11 405 JF1 B B 1 FT #HET 213 213 ASN B 7 401 POP B S 10 FT #HET 213 213 ASN B 10 404 MG B A 4 FT #HET 213 213 ASN B 11 405 JF1 B S 3 FT #HET 217 217 SER B 7 401 POP B S 2 FT #HET 217 217 SER B 10 404 MG B S 2 FT #HET 220 220 LYS B 7 401 POP B S 5 FT #HET 220 220 LYS B 9 403 MG B S 1 FT #HET 221 221 GLU B 7 401 POP B S 4 FT #HET 221 221 GLU B 10 404 MG B S 3 FT #HET 308 308 ARG B 7 401 POP B S 5 FT #HET 309 309 TYR B 7 401 POP B S 7 FT DISORDER 1 7 FT DISORDER 312 314 CC SEQUENCE 304 AA (ATOM); CC LEPPPSTFQP LCHPLVEEVS KEVDGYFLQH WNFPNEKARK KFVAAGFSRV TCLYFPKALD CC DRIHFACRLL TVLFLIDDLL EYMSFEEGSA YNEKLIPISR GDVLPDRSIP VEYIIYDLWE CC SMRAHDREMA DEILEPVFLF MRAQTDRTRA RPMGLGGYLE YRERDVGKEL LAALMRFSMG CC LKLSPSELQR VREIDANCSK HLSVVNDIYS YEKELYTSKT AHSEGGILCT SVQILAQEAD CC VTAEAAKRVL FVMCREWELR HQLLVARLSA EGLETPGLAA YVEGLEYQMS GAELWAQTTL CC RYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MHHHHHHLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ATOM -------LEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ******************************************* CC SEQRES AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ATOM AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ************************************************** CC SEQRES KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ATOM KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ************************************************** CC SEQRES QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ATOM QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ************************************************** CC SEQRES IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ATOM IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ************************************************** CC SEQRES EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ATOM EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ************************************************** CC SEQRES LWAQTTLRYSVVVD CC ATOM LWAQTTLRYSV--- CC *********** SQ SEQUENCE 314 AA; MW; CN; MHHHHHHLEP PPSTFQPLCH PLVEEVSKEV DGYFLQHWNF PNEKARKKFV AAGFSRVTCL YFPKALDDRI HFACRLLTVL FLIDDLLEYM SFEEGSAYNE KLIPISRGDV LPDRSIPVEY IIYDLWESMR AHDREMADEI LEPVFLFMRA QTDRTRARPM GLGGYLEYRE RDVGKELLAA LMRFSMGLKL SPSELQRVRE IDANCSKHLS VVNDIYSYEK ELYTSKTAHS EGGILCTSVQ ILAQEADVTA EAAKRVLFVM CREWELRHQL LVARLSAEGL ETPGLAAYVE GLEYQMSGAE LWAQTTLRYS VVVD // ID 5IMNC STANDARD; PRT; 314 AA. DT CONVERTED FROM PDB (SEQRES) 5IMN DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.530 CC R-Factor 0.197 FT #HET 61 61 TYR C 16 405 JF1 C S 7 FT #HET 81 81 PHE C 12 401 POP C S 1 FT #HET 81 81 PHE C 16 405 JF1 C A 10 FT #HET 84 84 ASP C 12 401 POP C S 5 FT #HET 84 84 ASP C 13 402 MG C S 3 FT #HET 84 84 ASP C 14 403 MG C S 3 FT #HET 84 84 ASP C 16 405 JF1 C S 1 FT #HET 88 88 GLU C 14 403 MG C S 1 FT #HET 147 147 PHE C 16 405 JF1 C S 1 FT #HET 169 169 ARG C 12 401 POP C S 7 FT #HET 169 169 ARG C 15 404 MG C S 1 FT #HET 173 173 VAL C 16 405 JF1 C B 4 FT #HET 178 178 LEU C 16 405 JF1 C S 1 FT #HET 209 209 LEU C 16 405 JF1 C A 2 FT #HET 213 213 ASN C 12 401 POP C S 10 FT #HET 213 213 ASN C 15 404 MG C S 3 FT #HET 213 213 ASN C 16 405 JF1 C S 4 FT #HET 217 217 SER C 12 401 POP C S 2 FT #HET 217 217 SER C 15 404 MG C S 2 FT #HET 220 220 LYS C 12 401 POP C S 5 FT #HET 220 220 LYS C 14 403 MG C S 1 FT #HET 221 221 GLU C 12 401 POP C S 7 FT #HET 221 221 GLU C 15 404 MG C S 4 FT #HET 308 308 ARG C 12 401 POP C S 6 FT #HET 308 308 ARG C 14 403 MG C S 1 FT #HET 309 309 TYR C 12 401 POP C S 8 FT DISORDER 1 7 FT DISORDER 312 314 CC SEQUENCE 304 AA (ATOM); CC LEPPPSTFQP LCHPLVEEVS KEVDGYFLQH WNFPNEKARK KFVAAGFSRV TCLYFPKALD CC DRIHFACRLL TVLFLIDDLL EYMSFEEGSA YNEKLIPISR GDVLPDRSIP VEYIIYDLWE CC SMRAHDREMA DEILEPVFLF MRAQTDRTRA RPMGLGGYLE YRERDVGKEL LAALMRFSMG CC LKLSPSELQR VREIDANCSK HLSVVNDIYS YEKELYTSKT AHSEGGILCT SVQILAQEAD CC VTAEAAKRVL FVMCREWELR HQLLVARLSA EGLETPGLAA YVEGLEYQMS GAELWAQTTL CC RYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MHHHHHHLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ATOM -------LEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ******************************************* CC SEQRES AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ATOM AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ************************************************** CC SEQRES KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ATOM KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ************************************************** CC SEQRES QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ATOM QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ************************************************** CC SEQRES IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ATOM IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ************************************************** CC SEQRES EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ATOM EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ************************************************** CC SEQRES LWAQTTLRYSVVVD CC ATOM LWAQTTLRYSV--- CC *********** SQ SEQUENCE 314 AA; MW; CN; MHHHHHHLEP PPSTFQPLCH PLVEEVSKEV DGYFLQHWNF PNEKARKKFV AAGFSRVTCL YFPKALDDRI HFACRLLTVL FLIDDLLEYM SFEEGSAYNE KLIPISRGDV LPDRSIPVEY IIYDLWESMR AHDREMADEI LEPVFLFMRA QTDRTRARPM GLGGYLEYRE RDVGKELLAA LMRFSMGLKL SPSELQRVRE IDANCSKHLS VVNDIYSYEK ELYTSKTAHS EGGILCTSVQ ILAQEADVTA EAAKRVLFVM CREWELRHQL LVARLSAEGL ETPGLAAYVE GLEYQMSGAE LWAQTTLRYS VVVD // ID 5IMND STANDARD; PRT; 314 AA. DT CONVERTED FROM PDB (SEQRES) 5IMN DE Aristolochene synthase OS Aspergillus terreus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.530 CC R-Factor 0.197 FT #SUB 158 158 ARG D 164 164 GLY B Protein S 5 FT #SUB 158 158 ARG D 167 167 GLU B Protein S 1 FT #SUB 163 163 GLY D 158 158 ARG B Protein B 1 FT #SUB 164 164 GLY D 158 158 ARG B Protein B 1 FT #HET 61 61 TYR D 21 405 JF1 D S 6 FT #HET 80 80 LEU D 21 405 JF1 D S 1 FT #HET 81 81 PHE D 17 401 POP D S 1 FT #HET 81 81 PHE D 21 405 JF1 D A 8 FT #HET 84 84 ASP D 17 401 POP D S 4 FT #HET 84 84 ASP D 18 402 MG D S 3 FT #HET 84 84 ASP D 19 403 MG D S 3 FT #HET 88 88 GLU D 19 403 MG D S 1 FT #HET 147 147 PHE D 21 405 JF1 D S 2 FT #HET 169 169 ARG D 17 401 POP D S 6 FT #HET 173 173 VAL D 21 405 JF1 D A 5 FT #HET 178 178 LEU D 21 405 JF1 D S 1 FT #HET 213 213 ASN D 17 401 POP D S 11 FT #HET 213 213 ASN D 20 404 MG D S 3 FT #HET 213 213 ASN D 21 405 JF1 D S 1 FT #HET 217 217 SER D 17 401 POP D S 2 FT #HET 217 217 SER D 20 404 MG D S 2 FT #HET 220 220 LYS D 17 401 POP D S 4 FT #HET 220 220 LYS D 19 403 MG D S 1 FT #HET 221 221 GLU D 17 401 POP D S 4 FT #HET 221 221 GLU D 20 404 MG D S 4 FT #HET 308 308 ARG D 17 401 POP D S 6 FT #HET 309 309 TYR D 17 401 POP D S 7 FT DISORDER 1 7 FT DISORDER 312 314 CC SEQUENCE 304 AA (ATOM); CC LEPPPSTFQP LCHPLVEEVS KEVDGYFLQH WNFPNEKARK KFVAAGFSRV TCLYFPKALD CC DRIHFACRLL TVLFLIDDLL EYMSFEEGSA YNEKLIPISR GDVLPDRSIP VEYIIYDLWE CC SMRAHDREMA DEILEPVFLF MRAQTDRTRA RPMGLGGYLE YRERDVGKEL LAALMRFSMG CC LKLSPSELQR VREIDANCSK HLSVVNDIYS YEKELYTSKT AHSEGGILCT SVQILAQEAD CC VTAEAAKRVL FVMCREWELR HQLLVARLSA EGLETPGLAA YVEGLEYQMS GAELWAQTTL CC RYSV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MHHHHHHLEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ATOM -------LEPPPSTFQPLCHPLVEEVSKEVDGYFLQHWNFPNEKARKKFV CC ******************************************* CC SEQRES AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ATOM AAGFSRVTCLYFPKALDDRIHFACRLLTVLFLIDDLLEYMSFEEGSAYNE CC ************************************************** CC SEQRES KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ATOM KLIPISRGDVLPDRSIPVEYIIYDLWESMRAHDREMADEILEPVFLFMRA CC ************************************************** CC SEQRES QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ATOM QTDRTRARPMGLGGYLEYRERDVGKELLAALMRFSMGLKLSPSELQRVRE CC ************************************************** CC SEQRES IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ATOM IDANCSKHLSVVNDIYSYEKELYTSKTAHSEGGILCTSVQILAQEADVTA CC ************************************************** CC SEQRES EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ATOM EAAKRVLFVMCREWELRHQLLVARLSAEGLETPGLAAYVEGLEYQMSGAE CC ************************************************** CC SEQRES LWAQTTLRYSVVVD CC ATOM LWAQTTLRYSV--- CC *********** SQ SEQUENCE 314 AA; MW; CN; MHHHHHHLEP PPSTFQPLCH PLVEEVSKEV DGYFLQHWNF PNEKARKKFV AAGFSRVTCL YFPKALDDRI HFACRLLTVL FLIDDLLEYM SFEEGSAYNE KLIPISRGDV LPDRSIPVEY IIYDLWESMR AHDREMADEI LEPVFLFMRA QTDRTRARPM GLGGYLEYRE RDVGKELLAA LMRFSMGLKL SPSELQRVRE IDANCSKHLS VVNDIYSYEK ELYTSKTAHS EGGILCTSVQ ILAQEADVTA EAAKRVLFVM CREWELRHQL LVARLSAEGL ETPGLAAYVE GLEYQMSGAE LWAQTTLRYS VVVD //