4fam Summary


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

The structure was published by Jamieson, S.M., Brooke, D.G., Heinrich, D., et al., Raynham, T., Flanagan, J.U., and Denny, W.A., in 2012 in a paper entitled "3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.0 Å and deposited in 2012.

The experimental data on which the structure is based was also deposited.

This PDB entry contains multiple copies of the structure of Aldo-keto reductase family 1 member C3.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Aldo-keto reductase family 1 member C3 P42330 (1-323) (AK1C3_HUMAN)search Homo sapienssearch 100% 331 95%
B Aldo-keto reductase family 1 member C3 P42330 (1-323) (AK1C3_HUMAN)search Homo sapienssearch 100% 331 95%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P42330 (1 - 323) Aldo-keto reductase family 1 member C3 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A, B (P42330) NADP-dependent oxidoreductasesearch PF00248: Aldo/keto reductase familysearch

Chain ID Biological process (GO) Cellular component (GO) Molecular function (GO)
A, B (P42330) oxidation-reduction processsearch prostaglandin metabolic processsearch cellular response to cadmium ionsearch cyclooxygenase pathwaysearch cellular response to starvationsearch cellular response to reactive oxygen speciessearch male gonad developmentsearch cellular response to calcium ionsearch daunorubicin metabolic processsearch progesterone metabolic processsearch positive regulation of reactive oxygen species metabolic processsearch farnesol catabolic processsearch cellular response to corticosteroid stimulussearch arachidonic acid metabolic processsearch small molecule metabolic processsearch cellular response to prostaglandin stimulussearch retinoid metabolic processsearch negative regulation of retinoic acid biosynthetic processsearch positive regulation of cell proliferationsearch testosterone biosynthetic processsearch regulation of testosterone biosynthetic processsearch steroid metabolic processsearch protein import into nucleus, translocationsearch regulation of retinoic acid receptor signaling pathwaysearch positive regulation of endothelial cell apoptotic processsearch phototransduction, visible lightsearch cellular response to prostaglandin D stimulussearch multicellular organismal macromolecule metabolic processsearch response to nutrientsearch keratinocyte differentiationsearch retinal metabolic processsearch positive regulation of cell deathsearch doxorubicin metabolic processsearch renal absorptionsearch positive regulation of protein kinase B signalingsearch cellular response to jasmonic acid stimulussearch G-protein coupled receptor signaling pathwaysearch cytosolsearch cytoplasmsearch nucleussearch extracellular vesicular exosomesearch intracellularsearch testosterone 17-beta-dehydrogenase (NADP+) activitysearch retinol dehydrogenase activitysearch trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activitysearch oxidoreductase activitysearch ketoreductase activitysearch prostaglandin D2 11-ketoreductase activitysearch prostaglandin-F synthase activitysearch oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptorsearch phenanthrene 9,10-monooxygenase activitysearch 15-hydroxyprostaglandin-D dehydrogenase (NADP+) activitysearch androsterone dehydrogenase activitysearch testosterone dehydrogenase (NAD+) activitysearch retinal dehydrogenase activitysearch aldo-keto reductase (NADP) activitysearch delta4-3-oxosteroid 5beta-reductase activitysearch alditol:NADP+ 1-oxidoreductase activitysearch ketosteroid monooxygenase activitysearch geranylgeranyl reductase activitysearch dihydrotestosterone 17-beta-dehydrogenase activitysearch indanol dehydrogenase activitysearch

Chain InterPro annotation
A, B Aldo/keto reductasesearch Aldo/keto reductase, conserved sitesearch Aldo/keto reductase subgroupsearch NADP-dependent oxidoreductase domainsearch