PDB entry 4mpy

View 4mpy 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: structural genomics, NAD, Center for Structural Genomics of Infectious Diseases, CSGID, NIAID, National Institute of Allergy and Infectious Diseases, Rossmann fold, OXIDOREDUCTASE
Deposited on 2013-09-14, released 2013-10-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: N/A
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.07: d4mpya1, d4mpya2
  • Chain 'B':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.07: d4mpyb1, d4mpyb2
  • Chain 'C':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (17-23)
    Domains in SCOPe 2.07: d4mpyc1, d4mpyc2
  • Chain 'D':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (22-23)
    Domains in SCOPe 2.07: d4mpyd1, d4mpyd2
  • Chain 'E':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (19-23)
    Domains in SCOPe 2.07: d4mpye1, d4mpye2
  • Chain 'F':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (22-23)
    Domains in SCOPe 2.07: d4mpyf1, d4mpyf2
  • Chain 'G':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (17-23)
    Domains in SCOPe 2.07: d4mpyg1, d4mpyg2
  • Chain 'H':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HCU0 (24-519)
      • expression tag (20-23)
    Domains in SCOPe 2.07: d4mpyh1, d4mpyh2
  • Heterogens: NAD, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mpyA (A:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyA (A:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mpyB (B:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyB (B:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4mpyC (C:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyC (C:)
    lyfqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerail
    aarrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddih
    nvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalat
    gcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftg
    gietgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsags
    rilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegat
    iavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqland
    siyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegl
    eeylvskhiltntnpqlvnwfsk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4mpyD (D:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyD (D:)
    namellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
    fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
    fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
    mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
    khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
    nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
    krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
    agavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylv
    skhiltntnpqlvnwfsk
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4mpyE (E:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyE (E:)
    fqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaa
    rrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnv
    fmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgc
    slvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggi
    etgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsri
    lvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatia
    vggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsi
    yglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkeglee
    ylvskhiltntnpqlvnwfsk
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4mpyF (F:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyF (F:)
    namellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
    fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
    fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
    mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
    khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
    nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
    krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
    agavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylv
    skhiltntnpqlvnwfsk
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4mpyG (G:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyG (G:)
    lyfqsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerail
    aarrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddih
    nvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalat
    gcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftg
    gietgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsags
    rilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegat
    iavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqland
    siyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegl
    eeylvskhiltntnpqlvnwfsk
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4mpyH (H:)
    mhhhhhhssgvdlgtenlyfqsnamellkhlsqrqyidgewvesankntrdiinpynqev
    iftvsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletl
    dtgktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpw
    nypllqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsev
    gdvmsghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdq
    alnggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvisteh
    rnkiesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvv
    tvegfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapw
    ggykqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mpyH (H:)
    qsnamellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaar
    rafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvf
    myfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcs
    lvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggie
    tgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsril
    vqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiav
    ggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiy
    glagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleey
    lvskhiltntnpqlvnwfsk