PDB entry 5dib
View 5dib on RCSB PDB site
Description: 2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
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
2015-08-31, released
2015-10-14
The last revision prior to the SCOPe 2.08 freeze date was dated
2015-10-14, with a file datestamp of
2015-10-09.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: N/A
AEROSPACI score: 0.27
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: betaine aldehyde dehydrogenase
Species: Staphylococcus aureus [TaxId:1280]
Gene: gbsA, CH51_13935, ERS157365_02065, ERS157366_01277, ERS157367_01590, ERS157368_01276, ERS157369_01327, ERS157370_01780, ERS157371_01447, ERS157372_01660, ERS157373_01815, ERS157374_00943, ERS157376_02019, ERS157379_02102, ERS157380_01277, ERS157381_01481, ERS157382_01327, ERS157383_01276, ERS157384_01683, ERS157385_01328, ERS157386_01590, ERS157387_01983, ERS157388_01278, ERS157389_01857, ERS157390_01571, ERS157391_01874, ERS157393_01280, ERS157394_01487, ERS157395_01059, ERS157409_01038, ERS195389_01428, ERS195391_02004, ERS445052_00785
Database cross-references and differences (RAF-indexed):
- Uniprot Q9L4P8 (21-516)
- initiating methionine (0)
- expression tag (20)
- engineered mutation (470)
Domains in SCOPe 2.08: d5diba1 - Chain 'B':
Compound: betaine aldehyde dehydrogenase
Species: Staphylococcus aureus [TaxId:1280]
Gene: gbsA, CH51_13935, ERS157365_02065, ERS157366_01277, ERS157367_01590, ERS157368_01276, ERS157369_01327, ERS157370_01780, ERS157371_01447, ERS157372_01660, ERS157373_01815, ERS157374_00943, ERS157376_02019, ERS157379_02102, ERS157380_01277, ERS157381_01481, ERS157382_01327, ERS157383_01276, ERS157384_01683, ERS157385_01328, ERS157386_01590, ERS157387_01983, ERS157388_01278, ERS157389_01857, ERS157390_01571, ERS157391_01874, ERS157393_01280, ERS157394_01487, ERS157395_01059, ERS157409_01038, ERS195389_01428, ERS195391_02004, ERS445052_00785
Database cross-references and differences (RAF-indexed):
- Uniprot Q9L4P8 (Start-516)
- initiating methionine (0)
- engineered mutation (470)
Domains in SCOPe 2.08: d5dibb1 - Chain 'C':
Compound: betaine aldehyde dehydrogenase
Species: Staphylococcus aureus [TaxId:1280]
Gene: gbsA, CH51_13935, ERS157365_02065, ERS157366_01277, ERS157367_01590, ERS157368_01276, ERS157369_01327, ERS157370_01780, ERS157371_01447, ERS157372_01660, ERS157373_01815, ERS157374_00943, ERS157376_02019, ERS157379_02102, ERS157380_01277, ERS157381_01481, ERS157382_01327, ERS157383_01276, ERS157384_01683, ERS157385_01328, ERS157386_01590, ERS157387_01983, ERS157388_01278, ERS157389_01857, ERS157390_01571, ERS157391_01874, ERS157393_01280, ERS157394_01487, ERS157395_01059, ERS157409_01038, ERS195389_01428, ERS195391_02004, ERS445052_00785
Database cross-references and differences (RAF-indexed):
- Uniprot Q9L4P8 (21-516)
- initiating methionine (0)
- expression tag (1)
- engineered mutation (470)
Domains in SCOPe 2.08: d5dibc1 - Chain 'D':
Compound: betaine aldehyde dehydrogenase
Species: Staphylococcus aureus [TaxId:1280]
Gene: gbsA, CH51_13935, ERS157365_02065, ERS157366_01277, ERS157367_01590, ERS157368_01276, ERS157369_01327, ERS157370_01780, ERS157371_01447, ERS157372_01660, ERS157373_01815, ERS157374_00943, ERS157376_02019, ERS157379_02102, ERS157380_01277, ERS157381_01481, ERS157382_01327, ERS157383_01276, ERS157384_01683, ERS157385_01328, ERS157386_01590, ERS157387_01983, ERS157388_01278, ERS157389_01857, ERS157390_01571, ERS157391_01874, ERS157393_01280, ERS157394_01487, ERS157395_01059, ERS157409_01038, ERS195389_01428, ERS195391_02004, ERS445052_00785
Database cross-references and differences (RAF-indexed):
- Uniprot Q9L4P8 (Start-516)
- initiating methionine (0)
- engineered mutation (470)
Domains in SCOPe 2.08: d5dibd1 - Heterogens: NAD, NA, EPE, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5dibA (A:)
mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhplfaqapwggy
kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
Sequence, based on observed residues (ATOM records): (download)
>5dibA (A:)
mgmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
agavfskdigkaqrvanklklgtvwindfhplfaqapwggykqsgigrelgkegleeylv
skhiltntnpqlvnwfsk
- Chain 'B':
Sequence, based on SEQRES records: (download)
>5dibB (B:)
mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhplfaqapwggy
kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
Sequence, based on observed residues (ATOM records): (download)
>5dibB (B:)
mellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafe
sgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfa
gladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmk
pseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkh
imknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqns
ikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkr
pdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglag
avfskdigkaqrvanklklgtvwindfhplfaqapwggykqsgigrelgkegleeylvsk
hiltntnpqlvnwfsk
- Chain 'C':
Sequence, based on SEQRES records: (download)
>5dibC (C:)
mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhplfaqapwggy
kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
Sequence, based on observed residues (ATOM records): (download)
>5dibC (C:)
mgmellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarra
fesgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmy
fagladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslv
mkpseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietg
khimknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvq
nsikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavgg
krpdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiygl
agavfskdigkaqrvanklklgtvwindfhplfaqapwggykqsgigrelgkegleeylv
skhiltntnpqlvnwfsk
- Chain 'D':
Sequence, based on SEQRES records: (download)
>5dibD (D:)
mgsshhhhhhssgrenlyfqgmellkhlsqrqyidgewvesankntrdiinpynqevift
vsegtkedaerailaarrafesgewsqetaetrgkkvraiadkikehrealarletldtg
ktleesyadmddihnvfmyfagladkdggemidspipdteskivkepvgvvtqitpwnyp
llqaswkiapalatgcslvmkpseitplttirvfelmeevgfpkgtinlilgagsevgdv
msghkevdlvsftggietgkhimknaannvtnialelggknpniifddadfelavdqaln
ggyfhagqvcsagsrilvqnsikdkfeqalidrvkkiklgngfdadtemgpvistehrnk
iesymdvakaegatiavggkrpdrddlkdglffeptvitncdtsmrivqeevfgpvvtve
gfeteqeaiqlandsiyglagavfskdigkaqrvanklklgtvwindfhplfaqapwggy
kqsgigrelgkegleeylvskhiltntnpqlvnwfsk
Sequence, based on observed residues (ATOM records): (download)
>5dibD (D:)
mellkhlsqrqyidgewvesankntrdiinpynqeviftvsegtkedaerailaarrafe
sgewsqetaetrgkkvraiadkikehrealarletldtgktleesyadmddihnvfmyfa
gladkdggemidspipdteskivkepvgvvtqitpwnypllqaswkiapalatgcslvmk
pseitplttirvfelmeevgfpkgtinlilgagsevgdvmsghkevdlvsftggietgkh
imknaannvtnialelggknpniifddadfelavdqalnggyfhagqvcsagsrilvqns
ikdkfeqalidrvkkiklgngfdadtemgpvistehrnkiesymdvakaegatiavggkr
pdrddlkdglffeptvitncdtsmrivqeevfgpvvtvegfeteqeaiqlandsiyglag
avfskdigkaqrvanklklgtvwindfhplfaqapwggykqsgigrelgkegleeylvsk
hiltntnpqlvnwfsk