8BB8

Crystal structure of human aldehyde dehydrogenase ALDH3A1 in complex with octanal

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)	Aldehyde dehydrogenase, dimeric NADP-preferring	polymer	466	52089.4	2	UniProt (P30838) Pfam (PF00171) Pfam (PF05893)	Homo sapiens (human)	ALDHIII,Aldehyde dehydrogenase 3,Aldehyde dehydrogenase family 3 member A1
2	C, D, H, I (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
3	E, J (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	F, K (A, B)	OCTANAL	non-polymer		128.2	2	Chemie (OYA)
5	G (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	L, M (A, B)	water	water		18.0	858	Chemie (HOH)

Sequence modifications

A, B: 1 - 452 (UniProt: P30838)

PDB	External Database	Details
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104178.9
Non-Polymers*	Number of molecules	9
	Total formula weight	623.0
All*	Total formula weight	104801.9

*Water molecules are not included.