5AC1

Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor

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)	RETINAL DEHYDROGENASE 1	polymer	501	54885.6	4	UniProt (P51977) Pfam (PF00171)	OVIS ARIES (SHEEP)	RALDH 1, RALDH1, ALDH-E1, ALHDII, ALDEHYDE DEHYDROGENASE FAMILY 1 MEMBER A1, ALDEHYDE DEHYDROGENASE CYTOSOLIC, ALDEHYDE DEHYDROGENASE 1A1
2	E, H, K, N (A, B, C, D)	1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one	non-polymer		297.4	4	Chemie (K9P)
3	F, I, L, O (A, B, C, D)	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate	non-polymer		667.5	4	Chemie (TXE)
4	G, J, M, P (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	723	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	219542.4
Non-Polymers*	Number of molecules	12
	Total formula weight	3956.6
All*	Total formula weight	223499.0

*Water molecules are not included.