2IPJ

Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone

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)
B	d2ipjb_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	3-alpha-hydroxysteroid dehydrogenase	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d2ipja_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	3-alpha-hydroxysteroid dehydrogenase	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)
B	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8039875	3000288	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8039875	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)
B	Aldo_ket_red	e2ipjB1	A: a/b barrels	X: TIM beta/alpha-barrel	H: TIM barrels (From Topology)	T: TIM barrels	F: Aldo_ket_red	ECOD (1.6)
A	Aldo_ket_red	e2ipjA1	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)
B	3.20.20.100	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	NADP-dependent oxidoreductase domain	CATH (4.3.0)
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, B	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, B	Aldo-keto reductase family 1 member C2	oxidoreductase activity oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity oxidoreductase activity, acting on the CH-CH group of donors catalytic activity bile acid binding organic acid binding binding ion binding anion binding carboxylic acid binding monocarboxylic acid binding small molecule binding indanol dehydrogenase activity oxidoreductase activity oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity oxidoreductase activity, acting on the CH-CH group of donors catalytic activity bile acid binding organic acid binding binding ion binding anion binding carboxylic acid binding monocarboxylic acid binding small molecule binding indanol dehydrogenase 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 aldo-keto reductase (NADPH) activity alcohol dehydrogenase [NAD(P)+] activity alcohol dehydrogenase (NADP+) activity aldose reductase (NADPH) 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 oxidoreductase activity, acting on NAD(P)H oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor steroid dehydrogenase activity steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor androstan-3-alpha,17-beta-diol dehydrogenase activity androsterone dehydrogenase activity estradiol 17-beta-dehydrogenase [NAD(P)+] activity	ketone metabolic process regulation of hormone levels steroid metabolic process biological regulation primary metabolic process C21-steroid hormone metabolic process hormone metabolic process progesterone metabolic process olefinic compound metabolic process metabolic process cellular process regulation of biological quality lipid metabolic process glycosyl compound metabolic process ketone metabolic process regulation of hormone levels steroid metabolic process biological regulation primary metabolic process C21-steroid hormone metabolic process hormone metabolic process progesterone metabolic process olefinic compound metabolic process metabolic process cellular process regulation of biological quality lipid metabolic process glycosyl compound metabolic process daunorubicin metabolic process aminoglycoside antibiotic metabolic process polyketide metabolic process glycoside metabolic process carbohydrate derivative metabolic process secondary metabolic process prostaglandin metabolic process icosanoid metabolic process fatty acid metabolic process unsaturated fatty acid metabolic process oxoacid metabolic process carboxylic acid metabolic process organic acid metabolic process prostanoid metabolic process small molecule metabolic process monocarboxylic acid metabolic process cellular response to stimulus response to lipid response to stimulus response to jasmonic acid response to fatty acid response to endogenous stimulus response to oxygen-containing compound cellular response to oxygen-containing compound cellular response to fatty acid cellular response to endogenous stimulus cellular response to chemical stimulus cellular response to jasmonic acid stimulus response to hormone response to chemical cellular response to lipid cellular response to hormone stimulus developmental process epithelium development cellular developmental process cell differentiation anatomical structure development tissue development epithelial cell differentiation positive regulation of cell communication regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction regulation of cellular process positive regulation of signal transduction signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cell communication positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette signal transduction positive regulation of cellular process regulation of biological process regulation of signaling positive regulation of intracellular signal transduction positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction regulation of response to stimulus regulation of cell communication phosphatidylinositol 3-kinase/protein kinase B signal transduction positive regulation of signaling cell population proliferation positive regulation of cell population proliferation regulation of cell population proliferation response to ketone response to prostaglandin cellular response to prostaglandin D stimulus response to alcohol cellular response to prostaglandin stimulus cellular response to alcohol response to prostaglandin D cellular response to ketone G protein-coupled receptor signaling pathway organic hydroxy compound metabolic process alcohol metabolic process doxorubicin metabolic process tertiary alcohol metabolic process primary alcohol metabolic 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, B	IPR020471	Aldo-keto reductase	Family
A, B	IPR044482	Aldo-keto reductase family 1 member C	Family
A, B	IPR036812	NADP-dependent oxidoreductase domain superfamily	Homologous Superfamily
A, B	IPR018170	Aldo/keto reductase, conserved site	Conserved Site
A, B	IPR023210	NADP-dependent oxidoreductase domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P52895	46,XY disorder of sex development due to testicular 17,20-desmolase deficiency polycystic ovary syndrome pseudohermaphroditism contact dermatitis Neoplasms, Hormone-Dependent true hermaphroditism endometriosis hepatocellular carcinoma Kleine-Levin syndrome osteoarthritis intellectual disability osteoarthritis susceptibility 1 sex differentiation disease malaria non-small cell lung carcinoma

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.