PDB entry 5imi

View 5imi on RCSB PDB site
Description: Crystal structure of S303A 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 2.08 freeze date was dated 2019-12-25, with a file datestamp of 2019-12-20.
Experiment type: XRAY
Resolution: 2.46 Å
R-factor: N/A
AEROSPACI score: 0.23 (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 (302)
    Domains in SCOPe 2.08: d5imia_
  • 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 (302)
    Domains in SCOPe 2.08: d5imib1, d5imib2
  • 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 (302)
    Domains in SCOPe 2.08: d5imic_
  • 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 (302)
    Domains in SCOPe 2.08: d5imid_
  • Heterogens: POP, MG, JF1, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5imiA (A:)
mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
lwaqttlrysvvvd

    Sequence, based on observed residues (ATOM records): (download) 
    >5imiA (A:)
lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwaqttl
rysvvv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5imiB (B:)
mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
lwaqttlrysvvvd

    Sequence, based on observed residues (ATOM records): (download) 
    >5imiB (B:)
hlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkal
ddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlw
esmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsm
glklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqea
dvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwaqtt
lrysvv

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5imiC (C:)
mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
lwaqttlrysvvvd

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

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5imiD (D:)
mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
lwaqttlrysvvvd

    Sequence, based on observed residues (ATOM records): (download) 
    >5imiD (D:)
lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwaqttl
rysvvv