4fa3 Summary


Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86)

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 2.2 Å and deposited in 2012.

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

The PDB entry contains the structure of Aldo-keto reductase family 1 member C3. This molecule has the UniProt identifier P42330 (AK1C3_HUMAN)search. The sample contained 331 residues which is 100% of the natural sequence. Out of 331 residues 301 were observed and are deposited in the PDB.

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 is most likely monomeric.

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 92%

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 Sequence family (Pfam)
A (P42330) PF00248: Aldo/keto reductase familysearch

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

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