PDB entry 3fg0

View 3fg0 on RCSB PDB site
Description: 1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (idp00699) in complex with NAD+
Class: oxidoreductase
Keywords: Betaine Aldehyde Dehydrogenase, NAD+, Structural Genomics, Infectious Diseases, NAD, Oxidoreductase, Center for Structural Genomics of Infectious Diseases, CSGID
Deposited on 2008-12-04, released 2008-12-30
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.129
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.03: d3fg0a_
  • Chain 'B':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.03: d3fg0b_
  • Chain 'C':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (17-23)
    Domains in SCOPe 2.03: d3fg0c_
  • Chain 'D':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (22-23)
    Domains in SCOPe 2.03: d3fg0d_
  • Chain 'E':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (19-23)
    Domains in SCOPe 2.03: d3fg0e_
  • Chain 'F':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (22-23)
    Domains in SCOPe 2.03: d3fg0f_
  • Chain 'G':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (17-23)
    Domains in SCOPe 2.03: d3fg0g_
  • Chain 'H':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.03: d3fg0h_
  • Heterogens: BME, NAD, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3fg0A (A:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0A (A:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3fg0B (B:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0B (B:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3fg0C (C:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0C (C:)
    lyfqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerail
    aarrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddih
    nvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalat
    gcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftg
    gietgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsags
    rilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegat
    iavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqland
    siyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegl
    eeylvskhiltntnpqlvnwfsk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3fg0D (D:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0D (D:)
    namellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
    fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
    fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
    mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
    khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
    nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
    krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
    agavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylv
    skhiltntnpqlvnwfsk
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3fg0E (E:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0E (E:)
    fqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaa
    rrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnv
    fmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgc
    slvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggi
    etgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsri
    lvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatia
    vggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsi
    yglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkeglee
    ylvskhiltntnpqlvnwfsk
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3fg0F (F:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0F (F:)
    namellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
    fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
    fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
    mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
    khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
    nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
    krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
    agavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylv
    skhiltntnpqlvnwfsk
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3fg0G (G:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0G (G:)
    lyfqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerail
    aarrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddih
    nvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalat
    gcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftg
    gietgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsags
    rilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegat
    iavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqland
    siyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegl
    eeylvskhiltntnpqlvnwfsk
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3fg0H (H:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fg0H (H:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk