MultifacetedProtDB - Bologna Biocomputing Group

EC number	EC number description
1.1.1.-	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor;
1.1.1.188	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; prostaglandin-F synthase
1.1.1.210	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; 3α(or 20β)-hydroxysteroid dehydrogenase
1.1.1.239	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; 3α(17β)-hydroxysteroid dehydrogenase (NAD+)
1.1.1.357	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; 3α-hydroxysteroid 3-dehydrogenase
1.1.1.53	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; 3α(or 20β)-hydroxysteroid dehydrogenase
1.1.1.62	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; 17β-estradiol 17-dehydrogenase
1.1.1.64	Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor; testosterone 17β-dehydrogenase (NADP+)

Structure

PDB	Resolution (Å)	PDB name
1RY0	1.69	Structure of prostaglandin F synthase with prostaglandin D2
1RY8	1.69	Prostaglandin F synthase complexed with NADPH and rutin
1S1P	1.2	Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
1S1R	2.0	Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
1S2A	1.7	Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
1S2C	1.8	Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
1XF0	2.0	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP
1ZQ5	1.3	Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404
2F38	2.0	Crystal structure of prostaglandin F synathase containing bimatoprost
2FGB	1.35	Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and NADP
3R43	2.0	AKR1C3 complexed with mefenamic acid
3R58	2.3	AKR1C3 complex with naproxen
3R6I	1.95	AKR1C3 complex with meclofenamic acid
3R7M	2.1	AKR1C3 complex with sulindac
3R8G	1.799	AKR1C3 complex with ibuprofen
3R8H	1.9	AKR1C3 complex with zomepirac
3R94	2.013	AKR1C3 complex with flurbiprofen
3UFY	1.9	AKR1C3 complex with R-naproxen
3UG8	1.73	AKR1C3 complex with indomethacin at pH 7.5
3UGR	1.65	AKR1C3 complex with indomethacin at pH 6.8
3UWE	1.68	AKR1C3 complexed with 3-phenoxybenzoic acid
4DBS	1.852	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid
4DBU	2.528	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
4DBW	1.802	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
4DZ5	1.7	W227F active site mutant of AKR1C3
4FA3	2.2	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86)
4FAL	2.0	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80)
4FAM	2.0	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)
4H7C	1.97	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
4HMN	2.4	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24)
4WDT	1.5	17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol
4WDU	1.7	17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
4WDW	1.94	17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone
4WDX	1.64	17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
4WRH	1.6	AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
4XVD	2.81	17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
4XVE	1.55	17beta-HSD5 in complex with 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
4YVV	2.3	Crystal structure of AKR1C3 complexed with glibenclamide
4YVX	2.3	Crystal structure of AKR1C3 complexed with glimepiride
4ZFC	2.0	Crystal structure of AKR1C3 complexed with glicazide
5HNT	2.0	Crystal Structure of AKR1C3 complexed with CAPE
5HNU	2.0	Crystal Structure of AKR1C3 complexed with octyl gallate
6A7B	2.37	AKR1C3 complexed with new inhibitor with novel scaffold
6F2U	1.88	Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
6F78	1.3	Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
6GXK	1.7	Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.
7C7F	1.7	Crystal structures of AKR1C3 binary complex with NADP+
7C7G	1.86	Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
7C7H	1.86	Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
7WQM	2.13	Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24
7WQR	2.124	Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28
7WQS	2.07	Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25
7X3L	1.86	Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
7X3M	2.694	Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
7X3O	2.001	Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
8BBS	1.4	Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor

GO term

GO ontology	GO term	GO description
Biological Process	GO:0007186	G protein-coupled receptor signaling pathway
Biological Process	GO:0071277	cellular response to calcium ion
Biological Process	GO:0071384	cellular response to corticosteroid stimulus
Biological Process	GO:0071395	cellular response to jasmonic acid stimulus
Biological Process	GO:0071799	cellular response to prostaglandin D stimulus
Biological Process	GO:0071379	cellular response to prostaglandin stimulus
Biological Process	GO:0009267	cellular response to starvation
Biological Process	GO:0019371	cyclooxygenase pathway
Biological Process	GO:0044597	daunorubicin metabolic process
Biological Process	GO:0044598	doxorubicin metabolic process
Biological Process	GO:0016488	farnesol catabolic process
Biological Process	GO:0030216	keratinocyte differentiation
Biological Process	GO:0043170	macromolecule metabolic process
Biological Process	GO:0008584	male gonad development
Biological Process	GO:1900053	negative regulation of retinoic acid biosynthetic process
Biological Process	GO:0008284	positive regulation of cell population proliferation
Biological Process	GO:2000353	positive regulation of endothelial cell apoptotic process
Biological Process	GO:0051897	positive regulation of protein kinase B signaling
Biological Process	GO:2000379	positive regulation of reactive oxygen species metabolic process
Biological Process	GO:0042448	progesterone metabolic process
Biological Process	GO:0006693	prostaglandin metabolic process
Biological Process	GO:0048385	regulation of retinoic acid receptor signaling pathway
Biological Process	GO:2000224	regulation of testosterone biosynthetic process
Biological Process	GO:0070293	renal absorption
Biological Process	GO:0007584	response to nutrient
Biological Process	GO:0042574	retinal metabolic process
Biological Process	GO:0001523	retinoid metabolic process
Biological Process	GO:0008202	steroid metabolic process
Biological Process	GO:0061370	testosterone biosynthetic process
Molecular Function	GO:0047020	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
Molecular Function	GO:0044594	17-beta-hydroxysteroid dehydrogenase (NAD+) activity
Molecular Function	GO:0047024	5alpha-androstane-3beta,17beta-diol dehydrogenase activity
Molecular Function	GO:0004745	NAD-retinol dehydrogenase activity
Molecular Function	GO:0052650	NADP-retinol dehydrogenase activity
Molecular Function	GO:0004032	alditol:NADP+ 1-oxidoreductase activity
Molecular Function	GO:0004033	aldo-keto reductase (NADP) activity
Molecular Function	GO:0047044	androstan-3-alpha,17-beta-diol dehydrogenase activity
Molecular Function	GO:0047023	androsterone dehydrogenase activity
Molecular Function	GO:0032052	bile acid binding
Molecular Function	GO:0047787	delta4-3-oxosteroid 5beta-reductase activity
Molecular Function	GO:0035410	dihydrotestosterone 17-beta-dehydrogenase activity
Molecular Function	GO:0004303	estradiol 17-beta-dehydrogenase NAD(P) activity
Molecular Function	GO:0045550	geranylgeranyl reductase activity
Molecular Function	GO:0045703	ketoreductase activity
Molecular Function	GO:0047086	ketosteroid monooxygenase activity
Molecular Function	GO:0016655	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
Molecular Function	GO:0018636	phenanthrene 9,10-monooxygenase activity
Molecular Function	GO:0036131	prostaglandin D2 11-ketoreductase activity
Molecular Function	GO:0036130	prostaglandin H2 endoperoxidase reductase activity
Molecular Function	GO:0047017	prostaglandin-F synthase activity
Molecular Function	GO:0001758	retinal dehydrogenase activity
Molecular Function	GO:0047045	testosterone 17-beta-dehydrogenase (NADP+) activity
Molecular Function	GO:0047035	testosterone dehydrogenase (NAD+) activity
Cellular Component	GO:0005737	cytoplasm
Cellular Component	GO:0005829	cytosol
Cellular Component	GO:0070062	extracellular exosome
Cellular Component	GO:0005634	nucleus

InterPro / Pfam

InterPro	InterPro name
IPR018170	Aldo/keto reductase, conserved site
IPR020471	Aldo-keto reductase
IPR023210	NADP-dependent oxidoreductase domain
IPR036812	NADP-dependent oxidoreductase domain superfamily
IPR044482	Aldo-keto reductase family 1 member C

Pfam	Pfam name
PF00248	Aldo/keto reductase family

Reactome

Reactome	Reactome Name	Node type	Reactome Root	Reactome Root Name
R-HSA-193368	Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol	Leaf	R-HSA-1430728	Metabolism
R-HSA-193775	Synthesis of bile acids and bile salts via 24-hydroxycholesterol	Leaf	R-HSA-1430728	Metabolism
R-HSA-193807	Synthesis of bile acids and bile salts via 27-hydroxycholesterol	Leaf	R-HSA-1430728	Metabolism
R-HSA-2162123	Synthesis of Prostaglandins (PG) and Thromboxanes (TX)	Leaf	R-HSA-1430728	Metabolism
R-HSA-5365859	RA biosynthesis pathway	Leaf	R-HSA-162582	Signal Transduction
R-HSA-975634	Retinoid metabolism and transport	Leaf	R-HSA-9709957	Sensory Perception

Subcellular location

Location	ECO term	Pubmed
Cytoplasm	ECO:0000269	PubMed:10622721

Interactor | Variant | Drug

Phenotype

Tissue and cell type

Tissue	Cell type	Expression level	Reliability
adipose tissue	adipocytes	Medium	Enhanced
adrenal gland	glandular cells	Medium	Enhanced
appendix	glandular cells	High	Enhanced
appendix	lymphoid tissue	Low	Enhanced
bone marrow	hematopoietic cells	Medium	Enhanced
breast	adipocytes	Low	Enhanced
breast	glandular cells	Low	Enhanced
bronchus	respiratory epithelial cells	Medium	Enhanced
caudate	glial cells	Medium	Enhanced
cerebellum	Bergmann glia - nucleus	Medium	Enhanced
cerebellum	granular cells - cytoplasm/membrane	Medium	Enhanced
cerebellum	granular cells - nucleus	Medium	Enhanced
cerebellum	molecular layer cells - nucleus	Medium	Enhanced
cerebellum	white matter cells - cytoplasm/membrane	Medium	Enhanced
cerebellum	white matter cells - nucleus	Medium	Enhanced
cerebral cortex	endothelial cells	Medium	Enhanced
cerebral cortex	glial cells	Medium	Enhanced
cerebral cortex	neuronal cells	Low	Enhanced
cerebral cortex	neuropil	Low	Enhanced
cervix	glandular cells	Low	Enhanced
cervix	squamous epithelial cells	Low	Enhanced
colon	endothelial cells	High	Enhanced
colon	glandular cells	Medium	Enhanced
duodenum	glandular cells	High	Enhanced
endometrium 1	glandular cells	Medium	Enhanced
epididymis	glandular cells	Low	Enhanced
fallopian tube	glandular cells	Medium	Enhanced
gallbladder	glandular cells	High	Enhanced
hippocampus	glial cells	Medium	Enhanced
kidney	cells in tubules	Medium	Enhanced
liver	cholangiocytes	Medium	Enhanced
liver	hepatocytes	High	Enhanced
lung	alveolar cells type I	Low	Enhanced
lung	alveolar cells type II	High	Enhanced
lung	macrophages	Medium	Enhanced
nasopharynx	respiratory epithelial cells	Medium	Enhanced
oral mucosa	squamous epithelial cells	Medium	Enhanced
ovary	ovarian stroma cells	Low	Enhanced
pancreas	exocrine glandular cells	Low	Enhanced
parathyroid gland	glandular cells	Medium	Enhanced
rectum	glandular cells	Medium	Enhanced
skin 1	fibroblasts	High	Enhanced
small intestine	glandular cells	High	Enhanced
soft tissue 1	fibroblasts	Medium	Enhanced
soft tissue 2	fibroblasts	High	Enhanced
spleen	cells in red pulp	Low	Enhanced
stomach 1	glandular cells	Medium	Enhanced
stomach 2	glandular cells	High	Enhanced
testis	Leydig cells	Low	Enhanced
tonsil	non-germinal center cells	Low	Enhanced
tonsil	squamous epithelial cells	Low	Enhanced
urinary bladder	urothelial cells	Medium	Enhanced

Summary of P42330

Gene: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS
Protein: Aldo-keto reductase family 1 member C3

Structure

GO term

InterPro / Pfam

Reactome

Subcellular location

Interactor | Variant | Drug

Phenotype

Tissue and cell type

Disease

Summary of P42330

Gene: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS Protein: Aldo-keto reductase family 1 member C3

Structure

GO term

InterPro / Pfam

Reactome

Subcellular location

Interactor | Variant | Drug

Phenotype

Tissue and cell type

Disease

Gene: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS
Protein: Aldo-keto reductase family 1 member C3