4FAM

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)

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	d4fama_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	Prostaglandin d2 11-ketoreductase (akr1c3)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4famb_	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	Prostaglandin d2 11-ketoreductase (akr1c3)	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	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8041223	3000288	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	NAD(P)-linked oxidoreductase	8041223	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	Aldo_ket_red	e4famA1	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	Aldo_ket_red	e4famB1	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	3.20.20.100	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	NADP-dependent oxidoreductase domain	CATH (4.3.0)
B	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 C3	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 prostaglandin F synthase activity catalytic activity bile acid binding organic acid binding binding ion binding anion binding carboxylic acid binding monocarboxylic acid binding small molecule binding geranylgeranyl reductase 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 prostaglandin F synthase activity catalytic activity bile acid binding organic acid binding binding ion binding anion binding carboxylic acid binding monocarboxylic acid binding small molecule binding geranylgeranyl reductase activity aldo-keto reductase (NADPH) activity alcohol dehydrogenase [NAD(P)+] activity alcohol dehydrogenase (NADP+) activity aldose reductase (NADPH) activity ketoreductase activity 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 prostaglandin H2 endoperoxidase reductase activity all-trans-retinol dehydrogenase (NADP+) 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 androsterone dehydrogenase activity estradiol 17-beta-dehydrogenase [NAD(P)+] activity testosterone dehydrogenase [NAD(P)+] activity testosterone dehydrogenase (NAD+) activity testosterone 17-beta-dehydrogenase (NADP+) activity 15-hydroxyprostaglandin-D dehydrogenase (NADP+) 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 5alpha-androstane-3beta,17beta-diol dehydrogenase activity oxidoreductase activity, acting on NAD(P)H oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor oxidoreductase activity, acting on the aldehyde or oxo group of donors retinal dehydrogenase activity oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor prostaglandin D2 11-ketoreductase activity alcohol dehydrogenase (NAD+) activity all-trans-retinol dehydrogenase (NAD+) activity	developmental process multicellular organismal process gonad development reproductive system development reproductive process sex differentiation animal organ development developmental process involved in reproduction male gonad development male sex differentiation multicellular organism development development of primary male sexual characteristics development of primary sexual characteristics anatomical structure development reproductive structure development developmental process multicellular organismal process gonad development reproductive system development reproductive process sex differentiation animal organ development developmental process involved in reproduction male gonad development male sex differentiation multicellular organism development development of primary male sexual characteristics development of primary sexual characteristics anatomical structure development reproductive structure development system development olefinic compound biosynthetic process small molecule biosynthetic process ketone metabolic process organic hydroxy compound metabolic process steroid metabolic process lipid biosynthetic process primary metabolic process testosterone biosynthetic process biosynthetic process organic hydroxy compound biosynthetic process metabolic process cellular process olefinic compound metabolic process small molecule metabolic process steroid biosynthetic process ketone biosynthetic process lipid metabolic process regulation of hormone levels biological regulation C21-steroid hormone metabolic process hormone metabolic process progesterone metabolic process regulation of biological quality 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 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 diterpenoid metabolic process regulation of cellular process negative regulation of small molecule metabolic process regulation of lipid metabolic process negative regulation of biological process organic acid biosynthetic process terpenoid biosynthetic process negative regulation of lipid biosynthetic process carboxylic acid biosynthetic process regulation of primary metabolic process regulation of small molecule metabolic process retinoic acid metabolic process regulation of vitamin metabolic process regulation of biological process negative regulation of metabolic process regulation of ketone metabolic process negative regulation of vitamin metabolic process retinoic acid biosynthetic process negative regulation of isoprenoid metabolic process regulation of isoprenoid metabolic process regulation of metabolic process negative regulation of lipid metabolic process terpenoid metabolic process negative regulation of hormone metabolic process isoprenoid metabolic process regulation of hormone metabolic process negative regulation of cellular process regulation of biosynthetic process monocarboxylic acid biosynthetic process isoprenoid biosynthetic process regulation of retinoic acid biosynthetic process vitamin metabolic process diterpenoid biosynthetic process negative regulation of retinoic acid biosynthetic process negative regulation of biosynthetic process retinoid metabolic process regulation of lipid biosynthetic process cellular response to metal ion response to metal ion cellular response to calcium ion response to calcium ion cellular response to nutrient levels response to nutrient levels cellular response to stress response to stress response to starvation cellular response to starvation renal system process system process renal absorption macromolecule metabolic process alcohol metabolic process doxorubicin metabolic process tertiary alcohol metabolic process primary alcohol metabolic process regulation of steroid biosynthetic process regulation of testosterone biosynthetic process regulation of ketone biosynthetic process regulation of steroid metabolic process intracellular receptor signaling pathway signaling regulation of retinoic acid receptor signaling pathway regulation of signal transduction hormone-mediated signaling pathway intracellular signal transduction cell communication regulation of intracellular signal transduction signal transduction regulation of signaling retinoic acid receptor signaling pathway regulation of response to stimulus regulation of cell communication nuclear receptor-mediated signaling pathway epithelium development epidermal cell differentiation cellular developmental process epidermis development tissue development epithelial cell differentiation skin development cell differentiation keratinocyte differentiation retinal metabolic process aldehyde metabolic process positive regulation of cell communication regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction positive regulation of signal transduction positive regulation of biological process positive regulation of response to stimulus intracellular signaling cassette positive regulation of cellular process positive regulation of intracellular signal transduction positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction phosphatidylinositol 3-kinase/protein kinase B signal transduction positive regulation of signaling reactive oxygen species metabolic process positive regulation of reactive oxygen species metabolic process positive regulation of metabolic process regulation of reactive oxygen species metabolic process response to prostaglandin cellular response to prostaglandin stimulus polyprenol metabolic process isoprenoid catabolic process catabolic process alcohol catabolic process farnesol catabolic process farnesol metabolic process sesquiterpenoid catabolic process lipid catabolic process primary alcohol catabolic process sesquiterpenoid metabolic process terpenoid catabolic process organic hydroxy compound catabolic process small molecule catabolic process polyprenol catabolic process cell population proliferation positive regulation of cell population proliferation regulation of cell population proliferation positive regulation of endothelial cell apoptotic process positive regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death cell death positive regulation of apoptotic process endothelial cell apoptotic process apoptotic process programmed cell death regulation of endothelial cell apoptotic process response to ketone cellular response to prostaglandin D stimulus response to alcohol cellular response to alcohol response to prostaglandin D cellular response to ketone G protein-coupled receptor signaling pathway cellular response to organic cyclic compound cellular response to corticosteroid stimulus response to corticosteroid response to steroid hormone cellular response to steroid hormone stimulus response to organic cyclic compound arachidonate metabolic process icosanoid biosynthetic process prostaglandin biosynthetic process prostanoid biosynthetic process long-chain fatty acid metabolic process cyclooxygenase pathway fatty acid biosynthetic process unsaturated fatty acid biosynthetic process response to nutrient	extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle nucleus intracellular membrane-bounded organelle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR044482	Aldo-keto reductase family 1 member C	Family
A, B	IPR036812	NADP-dependent oxidoreductase domain superfamily	Homologous Superfamily
A, B	IPR023210	NADP-dependent oxidoreductase domain	Domain
A, B	IPR020471	Aldo-keto reductase	Family
A, B	IPR018170	Aldo/keto reductase, conserved site	Conserved Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P42330	endometriosis polycystic ovary syndrome endometrial carcinoma Prostatic Neoplasms, Castration-Resistant pseudohermaphroditism true hermaphroditism obesity disorder prostate cancer dermatomyositis malignant colon neoplasm rheumatoid arthritis ductal breast carcinoma in situ Emery-Dreifuss muscular dystrophy synovitis nasopharyngeal carcinoma endometriosis polycystic ovary syndrome endometrial carcinoma Prostatic Neoplasms, Castration-Resistant pseudohermaphroditism true hermaphroditism obesity disorder prostate cancer dermatomyositis malignant colon neoplasm rheumatoid arthritis ductal breast carcinoma in situ Emery-Dreifuss muscular dystrophy synovitis nasopharyngeal carcinoma acute myeloid leukemia gastric cancer nephrosclerosis type 2 diabetes mellitus gout oligodendroglioma astrocytic tumor hereditary diffuse gastric adenocarcinoma atypical teratoid rhabdoid tumor breast fibroadenoma invasive ductal breast carcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia large cell medulloblastoma lung cancer malignant ependymoma malignant pancreatic neoplasm sex differentiation disease endometrial cancer myopathy tendinitis facioscapulohumeral muscular dystrophy adenoma gastric neoplasm non-small cell lung carcinoma amyotrophic lateral sclerosis head and neck cancer osteoarthritis atopic eczema bipolar disorder pancreatic ductal adenocarcinoma bursitis patent ductus arteriosus chronic obstructive pulmonary disease limb-girdle muscular dystrophy postmenopausal osteoporosis cystic fibrosis lung carcinoma Duchenne muscular dystrophy malignant mesothelioma pterygium medulloblastoma migraine disorder subependymal giant cell astrocytoma tenosynovitis glioblastoma ankylosing spondylitis osteosarcoma breast carcinoma interstitial cystitis pancreatic intraductal papillary-mucinous neoplasm juvenile idiopathic arthritis pituitary cancer common variable immunodeficiency

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.