PDB entry 5eyu

View 5eyu on RCSB PDB site
Description: 1.72 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
Class: oxidoreductase
Keywords: BetB, ROSSMANN FOLD, OXIDOREDUCTASE, STRUCTURAL GENOMICS, Center for Structural Genomics of Infectious Diseases, CSGID
Deposited on 2015-11-25, released 2015-12-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.72 Å
R-factor: N/A
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469)
    Domains in SCOPe 2.07: d5eyua_
  • Chain 'B':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469)
    Domains in SCOPe 2.07: d5eyub_
  • Chain 'C':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469)
    Domains in SCOPe 2.07: d5eyuc_
  • Chain 'D':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469)
    Domains in SCOPe 2.07: d5eyud_
  • Heterogens: NAD, NA, EPE, PGE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5eyuA (A:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5eyuA (A:)
    hlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafesgews
    qetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfagladk
    dggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkpseit
    plttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhimkna
    annvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsikdkf
    eqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrpdrdd
    lkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglagavfsk
    digkaqrvanklklgtvwindfhmyfaqapwggykqsgigrelgkegleeylvskhiltn
    tnpqlvnwfsk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5eyuB (B:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5eyuB (B:)
    hlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafesgews
    qetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfagladk
    dggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkpseit
    plttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhimkna
    annvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsikdkf
    eqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrpdrdd
    lkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglagavfsk
    digkaqrvanklklgtvwindfhmyfaqapwggykqsgigrelgkegleeylvskhiltn
    tnpqlvnwfsk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5eyuC (C:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5eyuC (C:)
    hlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafesgews
    qetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfagladk
    dggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkpseit
    plttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhimkna
    annvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsikdkf
    eqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrpdrdd
    lkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglagavfsk
    digkaqrvanklklgtvwindfhmyfaqapwggykqsgigrelgkegleeylvskhiltn
    tnpqlvnwfsk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5eyuD (D:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5eyuD (D:)
    hlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafesgews
    qetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfagladk
    dggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkpseit
    plttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhimkna
    annvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsikdkf
    eqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrpdrdd
    lkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglagavfsk
    digkaqrvanklklgtvwindfhmyfaqapwggykqsgigrelgkegleeylvskhiltn
    tnpqlvnwfsk