PDB entry 4kvd

View 4kvd on RCSB PDB site
Description: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium
Class: lyase/lyase inhibitor
Keywords: Class I terpene cyclase, LYASE-LYASE INHIBITOR complex
Deposited on 2013-05-22, released 2013-08-14
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-08-28, with a file datestamp of 2013-08-23.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.174
AEROSPACI score: 0.38 (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 2.04: d4kvda_
  • Chain 'B':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4kvdb_
  • Chain 'C':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4kvdc_
  • Chain 'D':
    Compound: Aristolochene synthase
    Species: Aspergillus terreus [TaxId:33178]
    Gene: Ari1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4kvdd_
  • Heterogens: POP, MG, GOL, 1SS, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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