3SZ9

Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Aldehyde dehydrogenase, mitochondrial	polymer	500	54499.6	8	UniProt (P05091) Pfam (PF00171) In PDB	Homo sapiens (human)	ALDH class 2, ALDH-E2, ALDHI
2	D, H, A, E, B...	SODIUM ION	non-polymer		23.0	8	Chemie (NA)
3	G, C, D, H, A...	GUANIDINE	non-polymer		59.1	18	Chemie (GAI)
4	C, G, D, H, E...	1,2-ETHANEDIOL	non-polymer		62.1	21	Chemie (EDO)
5	C, G, D, H, E...	1-(4-ethylphenyl)propan-1-one	non-polymer		162.2	8	Chemie (I3E)
6		water	water		18.0	2594	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	435997.0
Non-Polymers*	Number of molecules	55
	Total formula weight	3848.4
All*	Total formula weight	439845.5

*Water molecules are not included.