7QK8

Crystal structure of the ALDH1A3-NAD+ complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Aldehyde dehydrogenase family 1 member A3	polymer	529	58186.5	2	UniProt (P47895) Pfam (PF00171) In PDB	Homo sapiens (human)	Aldehyde dehydrogenase 6,Retinaldehyde dehydrogenase 3,RalDH3
2	A, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
4	A, B	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	A, B	O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL	non-polymer		324.4	2	Chemie (P4C)
6	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7		water	water		18.0	593	Chemie (HOH)

Sequence modifications

A, B: 1 - 512 (UniProt: P47895)

PDB	External Database	Details
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Ser -8	-	expression tag
Thr -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Lys -3	-	expression tag
Lys -2	-	expression tag
Ala -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116373.1
Non-Polymers*	Number of molecules	16
	Total formula weight	3112.7
All*	Total formula weight	119485.8

*Water molecules are not included.