PDB entry 5in8

View 5in8 on RCSB PDB site
Description: Crystal structure of Q151H Aspergillus terreus aristolochene synthase
Class: lyase/lyase inhibitor
Keywords: Lyase, terpene cyclases, LYASE-LYASE INHIBITOR complex
Deposited on 2016-03-07, 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: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.25 (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 (150)
    Domains in SCOPe 2.07: d5in8a_
  • Chain 'B':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9UR08 (7-End)
      • expression tag (6)
      • engineered mutation (150)
    Domains in SCOPe 2.07: d5in8b1, d5in8b2
  • 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 (150)
    Domains in SCOPe 2.07: d5in8c_
  • 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 (150)
    Domains in SCOPe 2.07: d5in8d_
  • Heterogens: GOL, MG, PO4, POP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5in8A (A:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5in8A (A:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5in8B (B:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5in8B (B:)
    hlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkal
    ddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlw
    esmrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaalmrfsm
    glklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqea
    dvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqtt
    lrysv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5in8C (C:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5in8C (C:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5in8D (D:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >5in8D (D:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmrahtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv