Structure of PDB 4mpy Chain B

Receptor sequence
>4mpyB (length=500) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence]
QSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTKE
DAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKEHREALARLETL
DTGKTLEESYADMDDIHNVFMYFAGLADKDGGEMIDSPIPDTESKIVKEP
VGVVTQITPWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELM
EEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNAA
NNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHAGQVCSAGSRIL
VQNSIKDKFEQALIDRVKKIKLGNGFDADTEMGPVISTEHRNKIESYMDV
AKAEGATIAVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVV
TVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIND
FHPYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTNTNPQLVNWFSK
3D structure
PDB4mpy Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
ChainB
Resolution1.85 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N157 K180 E255 C289 E390 E467
Catalytic site (residue number reindexed from 1) N161 K184 E259 C293 E394 E471
Enzyme Commision number 1.2.1.8: betaine-aldehyde dehydrogenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAD B I153 T154 P155 W156 N157 K180 E183 G213 G217 F231 G233 G234 T237 I241 G257 C289 K339 E390 F392 I157 T158 P159 W160 N161 K184 E187 G217 G221 F235 G237 G238 T241 I245 G261 C293 K343 E394 F396
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008802 betaine-aldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006578 amino-acid betaine biosynthetic process
GO:0019285 glycine betaine biosynthetic process from choline

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4mpy, PDBe:4mpy, PDBj:4mpy
PDBsum4mpy
PubMed24747910
UniProtA0A0H2X0S3

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