1MRQ

Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone

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
Structure Motif: Primary M-CSA Annotation

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d1mrqa1	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	NAD(P)-linked oxidoreductase	Aldo-keto reductases (NADP)	20alpha-hydroxysteroid dehydrogenase	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d1mrqa2	Artifacts	Tags	Tags	Tags	N-terminal Tags	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	SCOP2 Family	Aldo-keto reductases (NADP)	8024144	4003124	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	NAD(P)-linked oxidoreductase	8036523	3000288	SCOP2 (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	e1mrqA1	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)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
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	Aldo-keto reductase family 1 member C1	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 testosterone 17-beta-dehydrogenase (NADP+) 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 testosterone 17-beta-dehydrogenase (NADP+) activity steroid 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 steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor indanol dehydrogenase activity aldo-keto reductase (NADPH) activity alcohol dehydrogenase [NAD(P)+] activity alcohol dehydrogenase (NADP+) activity aldose reductase (NADPH) activity 17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity androsterone dehydrogenase activity androsterone dehydrogenase (B-specific) 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 androstan-3-alpha,17-beta-diol dehydrogenase activity 3beta-hydroxy-5beta-steroid dehydrogenase activity testosterone dehydrogenase [NAD(P)+] 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 oxoacid metabolic process organic hydroxy compound metabolic process carboxylic acid metabolic process organic acid metabolic process bile acid metabolic process small molecule metabolic process monocarboxylic acid metabolic process diterpenoid metabolic process retinal metabolic process aldehyde metabolic process retinoid metabolic process terpenoid metabolic process isoprenoid metabolic process prostaglandin metabolic process icosanoid metabolic process fatty acid metabolic process unsaturated fatty acid metabolic process prostanoid 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 sterol homeostasis chemical homeostasis homeostatic process cholesterol homeostasis lipid homeostasis organic anion transport carboxylic acid transport transport lipid localization bile acid and bile salt transport lipid transport organic hydroxy compound transport establishment of localization organic acid transport localization monocarboxylic acid transport macromolecule localization regulation of biological process regulation of cellular process reactive oxygen species metabolic process positive regulation of biological process positive regulation of reactive oxygen species metabolic process positive regulation of metabolic process regulation of metabolic process positive regulation of cellular process regulation of reactive oxygen species metabolic process cellular response to xenobiotic stimulus xenobiotic metabolic process response to xenobiotic stimulus intestinal lipid absorption multicellular organismal process digestion system process intestinal absorption digestive system process intestinal cholesterol absorption lipid digestion response to organophosphorus alcohol metabolic process doxorubicin metabolic process tertiary alcohol metabolic process primary alcohol metabolic process	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

InterPro: Protein Family Classification InterPro Database Homepage

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

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A	Pharos: Q04828	polycystic ovary syndrome true hermaphroditism Liver Cirrhosis, Experimental non-small cell lung carcinoma pseudohermaphroditism endometrial carcinoma endometriosis gout sex differentiation disease endometrial cancer osteoarthritis ovarian cancer osteoarthritis susceptibility 1

Structure Motif Annotation: Mechanism and Catalytic Site Atlas M-CSA Database Homepage

Chains	Enzyme Name	Description	Catalytic Residues
A	indanol dehydrogenase M-CSA #858	Converts progesterone to its inactive form, 20-alpha-dihydroxyprogesterone (20-alpha-OHP). In the liver and intestine, may have a role in the transport of bile. May have a role in monitoring the intrahepatic bile acid concentration. Has a low bile-binding ability. May play a role in myelin formation.	Defined by 4 residues: ASP:A-50TYR:A-55LYS:A-84HIS:A-117 \| Explore in 3D: M-CSA Motif Definition Search M-CSA Motif EC: 1.1.1.149 (PDB Primary Data) Search M-CSA Motif + EC 1.1.1.149 EC: 1.1.1.53 (UniProt) Search M-CSA Motif + EC 1.1.1.53 EC: 1.1.1.209 (UniProt) Search M-CSA Motif + EC 1.1.1.209 EC: 1.3.1.20 (UniProt) Search M-CSA Motif + EC 1.3.1.20 EC: 1.1.1.51 (UniProt) Search M-CSA Motif + EC 1.1.1.51 EC: 1.1.1.62 (UniProt) Search M-CSA Motif + EC 1.1.1.62 EC: 1.1.1.357 (UniProt) Search M-CSA Motif + EC 1.1.1.357 EC: 1.1.1 (UniProt) Search M-CSA Motif + EC 1.1.1 EC: 1.1.1.210 (UniProt) Search M-CSA Motif + EC 1.1.1.210 EC: 1.1.1.112 (UniProt) Search M-CSA Motif + EC 1.1.1.112

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.