PDB entry 4qet

View 4qet on RCSB PDB site
Description: Structure of Aldehyde Dehydrogenase from Bacillus cereus, G224D mutant
Class: oxidoreductase
Keywords: Rossmann fold, Aldehyde Dehydrogenase, OXIDOREDUCTASE
Deposited on 2014-05-19, released 2015-05-20
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-05-20, with a file datestamp of 2015-05-15.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase
    Species: Bacillus cereus [TaxId:526980]
    Gene: bcere0002_25940
    Database cross-references and differences (RAF-indexed):
    • Uniprot C2N217 (Start-493)
      • engineered mutation (223)
    Domains in SCOPe 2.07: d4qeta_
  • Chain 'B':
    Compound: aldehyde dehydrogenase
    Species: Bacillus cereus [TaxId:526980]
    Gene: bcere0002_25940
    Database cross-references and differences (RAF-indexed):
    • Uniprot C2N217 (Start-493)
      • engineered mutation (223)
    Domains in SCOPe 2.07: d4qetb_
  • Chain 'C':
    Compound: aldehyde dehydrogenase
    Species: Bacillus cereus [TaxId:526980]
    Gene: bcere0002_25940
    Database cross-references and differences (RAF-indexed):
    • Uniprot C2N217 (Start-493)
      • engineered mutation (223)
    Domains in SCOPe 2.07: d4qetc_
  • Chain 'D':
    Compound: aldehyde dehydrogenase
    Species: Bacillus cereus [TaxId:526980]
    Gene: bcere0002_25940
    Database cross-references and differences (RAF-indexed):
    • Uniprot C2N217 (Start-493)
      • engineered mutation (223)
    Domains in SCOPe 2.07: d4qetd_
  • Heterogens: NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qetA (A:)
    mlktnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedid
    aavkaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvalddd
    isatvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmga
    alatgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkv
    aftgstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqnc
    sagsrvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkk
    egatvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierann
    ssyglaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyal
    dnytevksvwvnik
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qetA (A:)
    nielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedidaavk
    aarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvaldddisat
    venyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmgaalat
    gctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkvaftg
    stvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqncsags
    rvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkkegat
    vaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierannssyg
    laagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyaldnyt
    evksvwvnik
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4qetB (B:)
    mlktnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedid
    aavkaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvalddd
    isatvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmga
    alatgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkv
    aftgstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqnc
    sagsrvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkk
    egatvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierann
    ssyglaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyal
    dnytevksvwvnik
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qetB (B:)
    tnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedidaav
    kaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvaldddisa
    tvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmgaala
    tgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkvaft
    gstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqncsag
    srvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkkega
    tvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierannssy
    glaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyaldny
    tevksvwvnik
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4qetC (C:)
    mlktnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedid
    aavkaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvalddd
    isatvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmga
    alatgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkv
    aftgstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqnc
    sagsrvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkk
    egatvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierann
    ssyglaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyal
    dnytevksvwvnik
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qetC (C:)
    tnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedidaav
    kaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvaldddisa
    tvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmgaala
    tgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkvaft
    gstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqncsag
    srvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkkega
    tvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierannssy
    glaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyaldny
    tevksvwvnik
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4qetD (D:)
    mlktnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedid
    aavkaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvalddd
    isatvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmga
    alatgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkv
    aftgstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqnc
    sagsrvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkk
    egatvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierann
    ssyglaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyal
    dnytevksvwvnik
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qetD (D:)
    tnielkpkveaflneeikmfingefvsaiggktfetynpatedvlavvceaqeedidaav
    kaarsafesgpwaemttaerahliykladlieehreelaqlealdngkpyqvaldddisa
    tvenyryyagwttkiigqtipiskdylnytrhepvgvvgqiipwnfplvmsswkmgaala
    tgctivlkpaeqtplsllyaaklfkeagfpngvvnfvpgfdpeagaaivnhhdidkvaft
    gstvtgkyimrqsaemikhvtlelggkspniiledadleeaingafqgimynhgqncsag
    srvfvhrkhyetvvdalvkmannvklgagmeketemgplvskkqqervlnyieqgkkega
    tvaaggeralekgyfvkptvftdvtddmtivkeeifgpvvvvlpfdsteevierannssy
    glaagvwtqniktghqvanklkagtvwindynlenaaapfggykqsgigrelgsyaldny
    tevksvwvnik