PDB entry 4q92

View 4q92 on RCSB PDB site
Description: 1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289
Class: oxidoreductase
Keywords: structural genomics, NAD, Center for Structural Genomics of Infectious, NIAID, National Institute of Allergy and Infectious Diseases, CSGID, Rossmann fold, OXIDOREDUCTASE, Center for Structural Genomics of Infectious Diseases
Deposited on 2014-04-28, released 2014-05-07
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: 1.9 Å
R-factor: N/A
AEROSPACI score: 0.34 (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 (21-516)
      • expression tag (20)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4q92a1, d4q92a2
  • 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 (21-516)
      • expression tag (20)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4q92b1, d4q92b2
  • 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 (21-516)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4q92c_
  • 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 (21-516)
      • expression tag (16-20)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4q92d1, d4q92d2
  • Heterogens: NA, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4q92A (A:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftgsietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q92A (A:)
    gmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarraf
    esgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyf
    agladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvm
    kpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftgsietgk
    himknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqn
    sikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggk
    rpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygla
    gavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvs
    khiltntnpqlvnwfsk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4q92B (B:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftgsietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q92B (B:)
    gmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarraf
    esgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyf
    agladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvm
    kpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftgsietgk
    himknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqn
    sikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggk
    rpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygla
    gavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvs
    khiltntnpqlvnwfsk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4q92C (C:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftgsietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q92C (C:)
    mellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafe
    sgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfa
    gladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmk
    pseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftgsietgkh
    imknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqns
    ikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkr
    pdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglag
    avfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkegleeylvsk
    hiltntnpqlvnwfsk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4q92D (D:)
    mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
    vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
    ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
    llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
    msghkevdlvsftgsietgkhimknaannvtnialelggknpniifddadfelavdqaln
    ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
    iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
    gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggy
    kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
    

    Sequence, based on observed residues (ATOM records): (download)
    >4q92D (D:)
    lyfqgmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaa
    rrafesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnv
    fmyfagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgc
    slvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftgsi
    etgkhimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsri
    lvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatia
    vggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsi
    yglagavfskdigkaqrvanklklgtvwindfhpyfaqapwggykqsgigrelgkeglee
    ylvskhiltntnpqlvnwfsk