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 2.06 freeze date was dated 2015-06-03, with a file datestamp of 2015-05-29.
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 2.06: 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 2.06: 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 2.06: 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 2.06: 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