PDB entry 5ez4

View 5ez4 on RCSB PDB site
Description: 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
Class: oxidoreductase
Keywords: betaine aldehyde dehydrogenase, rossmann fold, oxidoreductase, structural genomics, center for structural genomics of infectious diseases, csgid
Deposited on 2015-11-26, released 2015-12-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-12-09, with a file datestamp of 2015-12-04.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: N/A
AEROSPACI score: 0.29 (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 (21-516)
      • engineered mutation (469-470)
    Domains in SCOPe 2.07: d5ez4a_
  • Chain 'B':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469-470)
    Domains in SCOPe 2.07: d5ez4b_
  • Chain 'C':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (21-516)
      • expression tag (19-20)
      • engineered mutation (469-470)
    Domains in SCOPe 2.07: d5ez4c1, d5ez4c2
  • Chain 'D':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus [TaxId:1280]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L4P8 (Start-516)
      • engineered mutation (469-470)
    Domains in SCOPe 2.07: d5ez4d_
  • Heterogens: NAD, NA, PGE, EPE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5ez4A (A:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmlfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ez4A (A:)
    mellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafe
    sgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfa
    gladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmk
    pseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkh
    imknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqns
    ikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkr
    pdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglag
    avfskdigkaqrvanklklgtvwindfhmlfaqapwggykqsgigrelgkegleeylvsk
    hiltntnpqlvnwfsk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5ez4B (B:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmlfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ez4B (B:)
    ellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafes
    gewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfag
    ladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkp
    seitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhi
    mknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsi
    kdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrp
    drddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglaga
    vfskdigkaqrvanklklgtvwindfhmlfaqapwggykqsgigrelgkegleeylvskh
    iltntnpqlvnwfsk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5ez4C (C:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmlfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ez4C (C:)
    qgmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
    fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
    fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
    mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
    khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
    nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
    krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
    agavfskdigkaqrvanklklgtvwindfhmlfaqapwggykqsgigrelgkegleeylv
    skhiltntnpqlvnwfsk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5ez4D (D:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhmlfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ez4D (D:)
    lkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafesge
    wsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfagla
    dkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkpse
    itplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhimk
    naannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsikd
    kfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrpdr
    ddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglagavf
    skdigkaqrvanklklgtvwindfhmlfaqapwggykqsgigrelgkegleeylvskhil
    tntnpqlvnwfsk