PDB entry 4kvi

View 4kvi on RCSB PDB site
Description: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium
Class: lyase/lyase inhibitor
Keywords: Class I terpene cyclase, alpha-helical fold, farnesyl diphosphate, metal-binding, magnesium, LYASE-LYASE INHIBITOR complex
Deposited on 2013-05-22, released 2013-08-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-08-28, with a file datestamp of 2013-08-23.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: 0.208
AEROSPACI score: 0.39 (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): Domains in SCOPe 2.07: d4kvia_
  • Chain 'B':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4kvib_
  • Chain 'C':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4kvic_
  • Chain 'D':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4kvid_
  • Heterogens: MG, POP, 1SV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kviA (A:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kviA (A:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4kviB (B:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kviB (B:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4kviC (C:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kviC (C:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4kviD (D:)
    mhhhhhhlepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtcl
    yfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipvey
    iiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaa
    lmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvq
    ilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgne
    lwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kviD (D:)
    lepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkald
    drihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlwe
    smrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsmg
    lklspselqrvreidancskhlsvvndiysyekelytsktahseggilctsvqilaqead
    vtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttl
    rysv