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 2.08 freeze date was dated 2021-05-26, with a file datestamp of 2021-05-21.
Experiment type: XRAY
Resolution: 2.01 Å
R-factor: N/A
AEROSPACI score: 0.38 (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 2.08: 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 2.08: 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 2.08: 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 2.08: 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