3CAS

Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione

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)	3-oxo-5-beta-steroid 4-dehydrogenase	polymer	326	37427.9	2	UniProt (P51857) Pfam (PF00248)	Homo sapiens (Human)	Delta(4)-3-ketosteroid 5-beta-reductase, Aldo-keto reductase family 1 member D1
2	C, I (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010)
3	D (A)	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
4	E, F, G, J, K... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5	H, M (A, B)	4-ANDROSTENE-3-17-DIONE	non-polymer		286.4	2	Chemie (ASD) PubChem (2193) PubChem (6128) PubChem (249335) PubChem (6432604) PubChem (6603719) PubChem (7059480) PubChem (7092858) PubChem (7092862) PubChem (10636976) PubChem (11862468) PubChem (11869386) PubChem (12502775) PubChem (12502776) PubChem (16401731) PubChem (45038166) PubChem (45157398) PubChem (45358828) PubChem (1777655) PubChem (1777653) PubChem (1777654) PubChem (712379) PubChem (719687) PubChem (51571550) PubChem (11869385) PubChem (12502771) PubChem (68200178) PubChem (70987809) PubChem (86310158) PubChem (86310317) PubChem (90350327) PubChem (118179606) PubChem (121467525) PubChem (124306669) PubChem (124905398) PubChem (139408315) PubChem (141834009) PubChem (142980352) PubChem (144685561) PubChem (144685562) PubChem (163076809)
6	N, O (A, B)	water	water		18.0	461	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74855.8
Non-Polymers*	Number of molecules	11
	Total formula weight	2510.2
All*	Total formula weight	77366.0

*Water molecules are not included.