4I9B

Structure of aminoaldehyde dehydrogenase 1 from Solanum lycopersium (SlAMADH1) with a thiohemiacetal intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Putative betaine aldehyde dehyrogenase	polymer	517	56345.3	2	UniProt (Q56R04) Pfam (PF00171)	Solanum lycopersicum (tomato)	aminoaldehyde dehydrogenase, AMADH
2	C, H (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, I (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	E, J (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	F (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	G, K (A, B)	(2-hydroxyethoxy)acetaldehyde	non-polymer		104.1	2	Chemie (1KA)
7	L, M (A, B)	water	water		18.0	694	Chemie (HOH)

Sequence modifications

A, B: 2 - 504 (UniProt: Q56R04)

PDB	External Database	Details
Met -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Gln -1	-	expression tag
Asp 0	-	expression tag
Pro 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112690.6
Non-Polymers*	Number of molecules	9
	Total formula weight	1855.3
All*	Total formula weight	114546.0

*Water molecules are not included.