8OF1

Structure of ALDH5F1 from moss Physcomitrium patens in complex with NAD+ in the contracted conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Succinate-semialdehyde dehydrogenase	polymer	512	54688.7	2	UniProt (A0A2K1ICJ7) Pfam (PF00171) In PDB	Physcomitrium patens
2	A, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	A, B	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL	non-polymer		326.4	2	Chemie (P33)
4	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
6	B, A	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
7		water	water		18.0	739	Chemie (HOH)

Sequence modifications

A, B: 1 - 492 (UniProt: A0A2K1ICJ7)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109377.5
Non-Polymers*	Number of molecules	28
	Total formula weight	3941.4
All*	Total formula weight	113318.8

*Water molecules are not included.