PDB entry 5klk

View 5klk on RCSB PDB site
Description: Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde
Class: oxidoreductase
Keywords: 2-aminomuconate 6-semialdehyde dehydrogenase, kynurenine pathway, OXIDOREDUCTASE
Deposited on 2016-06-24, released 2016-11-09
The last revision prior to the SCOPe 2.06 freeze date was dated 2016-11-09, with a file datestamp of 2016-11-04.
Experiment type: XRAY
Resolution: 2.01 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-aminomuconate 6-semialdehyde dehydrogenase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q83V33 (Start-519)
      • engineered mutation (188)
    Domains in SCOPe 2.06: d5klka_
  • Chain 'B':
    Compound: 2-aminomuconate 6-semialdehyde dehydrogenase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q83V33 (Start-519)
      • engineered mutation (188)
    Domains in SCOPe 2.06: d5klkb_
  • Chain 'C':
    Compound: 2-aminomuconate 6-semialdehyde dehydrogenase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q83V33 (Start-519)
      • engineered mutation (188)
    Domains in SCOPe 2.06: d5klkc_
  • Chain 'D':
    Compound: 2-aminomuconate 6-semialdehyde dehydrogenase
    Species: Pseudomonas fluorescens [TaxId:294]
    Gene: nbaE
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q83V33 (Start-519)
      • engineered mutation (188)
    Domains in SCOPe 2.06: d5klkd_
  • Heterogens: NAD, 6OH, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5klkA (A:)
    mgsshhhhhhssglvprgshmntlpsqvwrtnigsapsqllnyidgnfvtsassfaninp
    vngklisdvfeadakqvneavvaaqnalkgpwgklsvqdraalihkiadgiqarfeefva
    aevadtgrpvhqartldipraianfrtfadlaktshtdlfemstsdgsgalnytvrkplg
    vigvispwdlplllftwkvapalacgntvvakpseespssatllaevmhdagvppgvfnl
    ihgfgkdsagefltqhpgisaltftgesktgstimkavadgvkevsfelggknaavvfad
    adldaaiegvlrssftnsgqvclcservyvhrsifdefvsglkveaerlvvgypdqdgvn
    mgplishghrdkvlsyyrlavdegatvvtgggvpkfnderdqgayvqptiwtglsdkarc
    vteeifgpvchispfddedevinrvndsnyglacaiwttnlsrahrvsrqihvglvwvnt
    wylrdlrtpfggvklsglgreggrfsmdfysdianiciki
    

    Sequence, based on observed residues (ATOM records): (download)
    >5klkA (A:)
    sqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgklsv
    qdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsht
    dlfemstsdgsgalnytvrkplgvigvispwdlplllftwkvapalacgntvvakpsees
    pssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimka
    vadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifde
    fvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkfn
    derdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacaiw
    ttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdianic
    iki
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5klkB (B:)
    mgsshhhhhhssglvprgshmntlpsqvwrtnigsapsqllnyidgnfvtsassfaninp
    vngklisdvfeadakqvneavvaaqnalkgpwgklsvqdraalihkiadgiqarfeefva
    aevadtgrpvhqartldipraianfrtfadlaktshtdlfemstsdgsgalnytvrkplg
    vigvispwdlplllftwkvapalacgntvvakpseespssatllaevmhdagvppgvfnl
    ihgfgkdsagefltqhpgisaltftgesktgstimkavadgvkevsfelggknaavvfad
    adldaaiegvlrssftnsgqvclcservyvhrsifdefvsglkveaerlvvgypdqdgvn
    mgplishghrdkvlsyyrlavdegatvvtgggvpkfnderdqgayvqptiwtglsdkarc
    vteeifgpvchispfddedevinrvndsnyglacaiwttnlsrahrvsrqihvglvwvnt
    wylrdlrtpfggvklsglgreggrfsmdfysdianiciki
    

    Sequence, based on observed residues (ATOM records): (download)
    >5klkB (B:)
    psqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgkls
    vqdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsh
    tdlfemstsdgsgalnytvrkplgvigvispwdlplllftwkvapalacgntvvakpsee
    spssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimk
    avadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifd
    efvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkf
    nderdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacai
    wttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdiani
    ciki
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5klkC (C:)
    mgsshhhhhhssglvprgshmntlpsqvwrtnigsapsqllnyidgnfvtsassfaninp
    vngklisdvfeadakqvneavvaaqnalkgpwgklsvqdraalihkiadgiqarfeefva
    aevadtgrpvhqartldipraianfrtfadlaktshtdlfemstsdgsgalnytvrkplg
    vigvispwdlplllftwkvapalacgntvvakpseespssatllaevmhdagvppgvfnl
    ihgfgkdsagefltqhpgisaltftgesktgstimkavadgvkevsfelggknaavvfad
    adldaaiegvlrssftnsgqvclcservyvhrsifdefvsglkveaerlvvgypdqdgvn
    mgplishghrdkvlsyyrlavdegatvvtgggvpkfnderdqgayvqptiwtglsdkarc
    vteeifgpvchispfddedevinrvndsnyglacaiwttnlsrahrvsrqihvglvwvnt
    wylrdlrtpfggvklsglgreggrfsmdfysdianiciki
    

    Sequence, based on observed residues (ATOM records): (download)
    >5klkC (C:)
    sqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgklsv
    qdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsht
    dlfemstsdgsgalnytvrkplgvigvispwdlplllftwkvapalacgntvvakpsees
    pssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimka
    vadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifde
    fvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkfn
    derdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacaiw
    ttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdianic
    iki
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5klkD (D:)
    mgsshhhhhhssglvprgshmntlpsqvwrtnigsapsqllnyidgnfvtsassfaninp
    vngklisdvfeadakqvneavvaaqnalkgpwgklsvqdraalihkiadgiqarfeefva
    aevadtgrpvhqartldipraianfrtfadlaktshtdlfemstsdgsgalnytvrkplg
    vigvispwdlplllftwkvapalacgntvvakpseespssatllaevmhdagvppgvfnl
    ihgfgkdsagefltqhpgisaltftgesktgstimkavadgvkevsfelggknaavvfad
    adldaaiegvlrssftnsgqvclcservyvhrsifdefvsglkveaerlvvgypdqdgvn
    mgplishghrdkvlsyyrlavdegatvvtgggvpkfnderdqgayvqptiwtglsdkarc
    vteeifgpvchispfddedevinrvndsnyglacaiwttnlsrahrvsrqihvglvwvnt
    wylrdlrtpfggvklsglgreggrfsmdfysdianiciki
    

    Sequence, based on observed residues (ATOM records): (download)
    >5klkD (D:)
    sqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgklsv
    qdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsht
    dlfemstsdgsgalnytvrkplgvigvispwdlplllftwkvapalacgntvvakpsees
    pssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimka
    vadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifde
    fvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkfn
    derdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacaiw
    ttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdianic
    iki