5N5S

Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+

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 (A, B, C, D)	Aldehyde dehydrogenase 21 (ALDH21)	polymer	515	56637.8	4	UniProt (A9SS48) Pfam (PF00171)	Physcomitrella patens subsp. patens (Moss)
2	E, G, H, K (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, I, J (B, D)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	L, M, N, O (A, B, C, D)	water	water		18.0	175	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 497 (UniProt: A9SS48)

PDB	External Database	Details
Met -17	-	initiating methionine
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Ser -7	-	expression tag
Gln -6	-	expression tag
Asp -5	-	expression tag
Pro -4	-	expression tag
Asn -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	226551.2
Non-Polymers*	Number of molecules	7
	Total formula weight	3159.8
All*	Total formula weight	229711.0

*Water molecules are not included.