PDB entry 3cke

View 3cke on RCSB PDB site
Description: Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Class: lyase
Keywords: substrate binding, metal ion binding, catalysis, conformational changes, LYASE
Deposited on 2008-03-14, released 2008-04-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.245
AEROSPACI score: 0.3 (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: d3ckea_
  • Chain 'B':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ckeb_
  • Chain 'C':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ckec_
  • Chain 'D':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3cked_
  • Heterogens: CL, MG, FDF, BME, POP, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ckeA (A:)
    mkkpngtngassslepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagf
    srvtclyfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdr
    sipveyiiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvg
    kellaalmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggi
    lctsvqilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegley
    qmsgnelwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckeA (A:)
    slepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkal
    ddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlw
    esmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsm
    glklspselqrvreidancskhlsvvndiysyekelytlctsvqilaqeadvtaeaakrv
    lfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttlrysv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ckeB (B:)
    mkkpngtngassslepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagf
    srvtclyfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdr
    sipveyiiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvg
    kellaalmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggi
    lctsvqilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegley
    qmsgnelwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckeB (B:)
    slepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkal
    ddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlw
    esmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsm
    glklspselqrvreidancskhlsvvndiysyekelytsilctsvqilaqeadvtaeaak
    rvlfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttlrysv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ckeC (C:)
    mkkpngtngassslepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagf
    srvtclyfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdr
    sipveyiiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvg
    kellaalmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggi
    lctsvqilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegley
    qmsgnelwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckeC (C:)
    slepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagfsrvtclyfpkal
    ddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdrsipveyiiydlw
    esmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvgkellaalmrfsm
    glklspselqrvreidancskhlsvvndiysyekelytlctsvqilaqeadvtaeaakrv
    lfvmcrewelrhqllvarlsaegletpglaayvegleyqmsgnelwsqttlrysv
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ckeD (D:)
    mkkpngtngassslepppstfqplchplveevskevdgyflqhwnfpnekarkkfvaagf
    srvtclyfpkalddrihfacrlltvlfliddlleymsfeegsayneklipisrgdvlpdr
    sipveyiiydlwesmrahdremadeilepvflfmraqtdrtrarpmglggyleyrerdvg
    kellaalmrfsmglklspselqrvreidancskhlsvvndiysyekelytsktahseggi
    lctsvqilaqeadvtaeaakrvlfvmcrewelrhqllvarlsaegletpglaayvegley
    qmsgnelwsqttlrysvvvd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckeD (D:)
    slepppstfqplchplveevskevdgyflqhwkarkkvaagfsrvtclyfpkalddrihf
    acrlltvlfliddllefeegsayneklipisrgdvlpdrsipveyiiydlwesmrahdre
    madeilepvflfmraqtdrtrrpmglggyleyrerdvgkellaalmrfsmglklspselq
    rvreidancskhlsvvndiysyekelylctsvqilaqeadvtaeaakrvlfvmcrewelr
    hqllvarlsaegletpglaayvegleyqmsgnelwsqttlrysv