Structure of PDB 4v37 Chain C

Receptor sequence

>4v37C (length=495) Species: 3562 (Spinacia oleracea)

FPIPARQLFIDGEWREPIKKNRIPVINPSTEEIIGDIPAATAEDVEVAVV
AARRAFRRNNWSATSGAHRATYLRAIAAKITEKKDHFVKLETIDSGKPFD
EAVLDIDDVASCFEYFAGQAEALDGKQKAPVTLPMERFKSHVLRQPLGVV
GLISPWNYPLLMATWKIAPALAAGCTAVLKPSELASVTCLEFGEVCNEVG
LPPGVLNILTGLGPDAGAPLVSHPDVDKIAFTGSSATGSKVMASAAQLVK
PVTLELGGKSPIVVFEDVDIDKVVEWTIFGCFWTNGQIASATSRLLVHES
IAAEFVDKLVKWTKNIKISDPFEEGCRLGPVISKGQYDKIMKFISTAKSE
GATILYGGSRPEHLKKGYYIEPTIVTDISTSMQIWKEEVFGPVLCVKTFS
SEDEAIALANDTEYGLAAAVFSNDLERCERITKALEVGAVWVNCSQPCFV
QAPWGGIKRSGFGRELGEWGIQNYLNIKQVTQDISDEPWGWYKSP

3D structure

• PDB: 4v37 Identification of a Stable Thiohemiacetal Involving a Conserved Cysteine in the Substrate Inactivation of S. Oleracea Betaine Aldehyde Dehydrogenase
• Chain: C
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): N159 K182 E257 A291 E390 E467
• Catalytic site (residue number reindexed from 1): N157 K180 E255 A289 E388 E465
• Enzyme Commision number: 1.2.1.-
  1.2.1.19: aminobutyraldehyde dehydrogenase.
  1.2.1.47: 4-trimethylammoniobutyraldehyde dehydrogenase.
  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	C	I155 S156 P157 W158 N159 M164 K182 E185 G215 G219 A220 T234 G235 S236 T239 E257 L258 A291 E390 F392	I153 S154 P155 W156 N157 M162 K180 E183 G213 G217 A218 T232 G233 S234 T237 E255 L256 A289 E388 F390
BS02	0D8	C	W167 C450 W456	W165 C448 W454
BS03	0D8	C	W285 Q448 P449 C450	W283 Q446 P447 C448

Gene Ontology

Molecular Function

• 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:0019145 aminobutyraldehyde dehydrogenase (NAD+) activity
• GO:0030955 potassium ion binding
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding
• GO:0047105 4-trimethylammoniobutyraldehyde dehydrogenase activity

Biological Process

• GO:0019285 glycine betaine biosynthetic process from choline
• GO:0110095 cellular detoxification of aldehyde

External links

• PDB: RCSB:4v37, PDBe:4v37, PDBj:4v37
• PDBsum: 4v37
• UniProt: P17202|BADH_SPIOL Aminoaldehyde dehydrogenase BADH (Gene Name=BADH)