Structure of PDB 4nea Chain D

Receptor sequence
>4neaD (length=502) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence]
YFQSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGT
KEDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKEHREALARLE
TLDTGKTLEESYADMDDIHNVFMYFAGLADKDGGEMIDSPIPDTESKIVK
EPVGVVTQITPWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFE
LMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKN
AANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHAGQVCSAGSR
ILVQNSIKDKFEQALIDRVKKIKLGNGFDADTEMGPVISTEHRNKIESYM
DVAKAEGATIAVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGP
VVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWI
NDFHPYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTNTNPQLVNWF
SK
3D structure
PDB4nea Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
ChainD
Resolution1.9 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) N163 K186 E261 C295 E396 E473
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 D I153 T154 P155 W156 K180 S182 E183 G213 G217 F231 G233 G234 T237 I241 C289 E390 F392 I159 T160 P161 W162 K186 S188 E189 G219 G223 F237 G239 G240 T243 I247 C295 E396 F398
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4nea, PDBe:4nea, PDBj:4nea
PDBsum4nea
PubMed25945581
UniProtA0A0H2X0S3

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