PDB entry 4qto

View 4qto on RCSB PDB site
Description: 1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site
Class: oxidoreductase
Keywords: BetB, structural genomics, NAD, NIAID, National Institute of Allergy and Infectious Diseases, CSGID, Rossmann fold, Center for Structural Genomics of Infectious Diseases, OXIDOREDUCTASE
Deposited on 2014-07-08, released 2014-07-16
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: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.43 (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 (23)
    Domains in SCOPe 2.07: d4qtoa1, d4qtoa2
  • 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 (23)
    Domains in SCOPe 2.07: d4qtob1, d4qtob2
  • Chain 'C':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qtoc_
  • Chain 'D':
    Compound: betaine aldehyde dehydrogenase
    Species: Staphylococcus aureus subsp. aureus COL [TaxId:93062]
    Gene: betB, SACOL2628
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qtod_
  • Heterogens: NA, PGE, PEG, TRS, PG4, EDO, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qtoA (A:)
    amellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarraf
    esgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyf
    agladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvm
    kpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgk
    himknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqn
    sikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggk
    rpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygla
    gavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvs
    khiltntnpqlvnwfsk
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qtoB (B:)
    amellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarraf
    esgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyf
    agladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvm
    kpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgk
    himknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqn
    sikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggk
    rpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygla
    gavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvs
    khiltntnpqlvnwfsk
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qtoC (C:)
    mellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafe
    sgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfa
    gladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmk
    pseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkh
    imknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqns
    ikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkr
    pdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglag
    avfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvsk
    hiltntnpqlvnwfsk
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4qtoD (D:)
    ellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafes
    gewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfag
    ladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmkp
    seitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkhi
    mknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqnsi
    kdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkrp
    drddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglaga
    vfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvskh
    iltntnpqlvnwfsk