3BUV

Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A.

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A [auth B]	d3buvb_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B [auth A]	d3buva_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A [auth B]	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8061991	3000288	SCOP2B (2022-06-29)
B [auth A]	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8061991	3000288	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A [auth B]	Aldo_ket_red	e3buvB1	A: a/b barrels	X: TIM beta/alpha-barrel	H: TIM barrels (From Topology)	T: TIM barrels	F: Aldo_ket_red	ECOD (1.6)
B [auth A]	Aldo_ket_red	e3buvA1	A: a/b barrels	X: TIM beta/alpha-barrel	H: TIM barrels (From Topology)	T: TIM barrels	F: Aldo_ket_red	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A [auth B]	3.20.20.100	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	NADP-dependent oxidoreductase domain	CATH (4.3.0)
B [auth A]	3.20.20.100	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	NADP-dependent oxidoreductase domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A [auth B], B [auth A]	PF00248	Aldo/keto reductase family (Aldo_ket_red)	Aldo/keto reductase family	This family includes a number of K+ ion channel beta chain regulatory domains - these are reported to have oxidoreductase activity [2].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth B], B [auth A]	3-oxo-5-beta-steroid 4-dehydrogenase	aldo-keto reductase (NADPH) activity alcohol dehydrogenase [NAD(P)+] activity oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor oxidoreductase activity, acting on CH-OH group of donors catalytic activity alcohol dehydrogenase (NADP+) activity aldose reductase (NADPH) activity enone reductase activity oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor Delta4-3-oxosteroid 5beta-reductase activity oxidoreductase activity, acting on the CH-CH group of donors binding organic cyclic compound binding aldo-keto reductase (NADPH) activity alcohol dehydrogenase [NAD(P)+] activity oxidoreductase activity oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor oxidoreductase activity, acting on CH-OH group of donors catalytic activity alcohol dehydrogenase (NADP+) activity aldose reductase (NADPH) activity enone reductase activity oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor Delta4-3-oxosteroid 5beta-reductase activity oxidoreductase activity, acting on the CH-CH group of donors binding organic cyclic compound binding steroid binding lipid binding steroid dehydrogenase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen ketosteroid monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen	bile acid biosynthetic process monocarboxylic acid biosynthetic process small molecule biosynthetic process oxoacid metabolic process organic hydroxy compound metabolic process steroid metabolic process carboxylic acid metabolic process lipid biosynthetic process primary metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process bile acid metabolic process biosynthetic process organic hydroxy compound biosynthetic process bile acid biosynthetic process monocarboxylic acid biosynthetic process small molecule biosynthetic process oxoacid metabolic process organic hydroxy compound metabolic process steroid metabolic process carboxylic acid metabolic process lipid biosynthetic process primary metabolic process organic acid biosynthetic process organic acid metabolic process carboxylic acid biosynthetic process bile acid metabolic process biosynthetic process organic hydroxy compound biosynthetic process metabolic process cellular process small molecule metabolic process monocarboxylic acid metabolic process steroid biosynthetic process lipid metabolic process sterol catabolic process alcohol catabolic process catabolic process lipid catabolic process sterol metabolic process cholesterol metabolic process alcohol metabolic process cholesterol catabolic process secondary alcohol metabolic process steroid catabolic process organic hydroxy compound catabolic process small molecule catabolic process regulation of hormone levels biological regulation androgen metabolic process regulation of biological quality hormone metabolic process C21-steroid hormone metabolic process organic acid catabolic process bile acid catabolic process cellular catabolic process monocarboxylic acid catabolic process carboxylic acid catabolic process multicellular organismal process digestion	cellular anatomical structure intracellular anatomical structure cytoplasm cytosol

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A [auth B], B [auth A]	IPR018170	Aldo/keto reductase, conserved site	Conserved Site
A [auth B], B [auth A]	IPR020471	Aldo-keto reductase	Family
A [auth B], B [auth A]	IPR036812	NADP-dependent oxidoreductase domain superfamily	Homologous Superfamily
A [auth B], B [auth A]	IPR023210	NADP-dependent oxidoreductase domain	Domain
A [auth B], B [auth A]	IPR044483	Aldo-keto reductase family 1 member D1	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A [auth B], B [auth A]	Pharos: P51857	congenital bile acid synthesis defect 2 hereditary hemochromatosis intrahepatic cholestasis cholestasis Hemochromatosis intellectual disability psoriasis inborn errors of metabolism pancreatic ductal adenocarcinoma

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.