4h7c Summary


Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone

The structure was published by Heinrich, D.M., Flanagan, J.U., Jamieson, S.M., et al., Raynham, T., Turnbull, A.P., and Denny, W.A., in 2013 in a paper entitled "Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.97 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 Structural classification (CATH) Sequence family (Pfam)
A (P42330) NADP-dependent oxidoreductasesearch PF00248: Aldo/keto reductase familysearch

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

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