PDB entry 5imp

View 5imp on RCSB PDB site
Description: Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Class: lyase/lyase inhibitor
Keywords: Lyase, terpene cyclases, LYASE-LYASE INHIBITOR complex
Deposited on 2016-03-06, released 2016-05-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
Experiment type: XRAY
Resolution: 2.04 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9UR08 (7-End)
      • engineered mutation (298)
    Domains in SCOPe 2.07: d5impa_
  • Chain 'B':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9UR08 (7-End)
      • engineered mutation (298)
    Domains in SCOPe 2.07: d5impb_
  • Chain 'C':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9UR08 (7-End)
      • engineered mutation (298)
    Domains in SCOPe 2.07: d5impc_
  • Chain 'D':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9UR08 (7-End)
      • engineered mutation (298)
    Domains in SCOPe 2.07: d5impd_
  • Heterogens: POP, MG, JF1, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5impA (A:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgae
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5impA (A:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgaelwsqttl
    rysv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5impB (B:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgae
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5impB (B:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgaelwsqttl
    rysv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5impC (C:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgae
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5impC (C:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgaelwsqttl
    rysv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5impD (D:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgae
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5impD (D:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgaelwsqttl
    rysv