PDB entry 5klo

View 5klo on RCSB PDB site
Description: Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A
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 2.07 freeze date was dated 2016-11-09, with a file datestamp of 2016-11-04.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: N/A
AEROSPACI score: 0.37 (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 2.07: d5kloa_
  • 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 2.07: d5klob_
  • 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 2.07: d5kloc_
  • 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 2.07: d5klod_
  • Heterogens: 2VS, NA, NAD, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5kloA (A:)
    psqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgkls
    vqdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsh
    tdlfemstsdgsgalnytvrkplgvigvispwalplllftwkvapalacgntvvakpsee
    spssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimk
    avadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifd
    efvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkf
    nderdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacai
    wttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdiani
    ciki
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5kloB (B:)
    sqllnyidgnfvtsassfaninpvngklisdvfeadakqvneavvaaqnalkgpwgklsv
    qdraalihkiadgiqarfeefvaaevadtgrpvhqartldipraianfrtfadlaktsht
    dlfemstsdgsgalnytvrkplgvigvispwalplllftwkvapalacgntvvakpsees
    pssatllaevmhdagvppgvfnlihgfgkdsagefltqhpgisaltftgesktgstimka
    vadgvkevsfelggknaavvfadadldaaiegvlrssftnsgqvclcservyvhrsifde
    fvsglkveaerlvvgypdqdgvnmgplishghrdkvlsyyrlavdegatvvtgggvpkfn
    derdqgayvqptiwtglsdkarcvteeifgpvchispfddedevinrvndsnyglacaiw
    ttnlsrahrvsrqihvglvwvntwylrdlrtpfggvklsglgreggrfsmdfysdianic
    iki
    

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

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

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

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