|Entry||Database: PDB / ID: 2f38|
|Title||Crystal structure of prostaglandin F synathase containing bimatoprost|
|Components||Aldo-keto reductase family 1 member C3|
|Keywords||OXIDOREDUCTASE / Prostaglandin F synthase / AKR1C3 / PGF2alpha fromation / PGH2 / bimatoprost / catalytic mechanism|
|Function / homology|
Function and homology information
prostaglandin-F synthase / testosterone 17beta-dehydrogenase (NADP+) / prostaglandin D2 11-ketoreductase activity / ketoreductase activity / prostaglandin-F synthase activity / cellular response to prostaglandin stimulus / cellular response to corticosteroid stimulus / regulation of testosterone biosynthetic process / negative regulation of retinoic acid biosynthetic process / 3beta(or 20alpha)-hydroxysteroid dehydrogenase ...prostaglandin-F synthase / testosterone 17beta-dehydrogenase (NADP+) / prostaglandin D2 11-ketoreductase activity / ketoreductase activity / prostaglandin-F synthase activity / cellular response to prostaglandin stimulus / cellular response to corticosteroid stimulus / regulation of testosterone biosynthetic process / negative regulation of retinoic acid biosynthetic process / 3beta(or 20alpha)-hydroxysteroid dehydrogenase / 15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity / 3alpha(17beta)-hydroxysteroid dehydrogenase (NAD+) / 5alpha-androstane-3beta,17beta-diol dehydrogenase activity / cellular response to prostaglandin D stimulus / delta4-3-oxosteroid 5beta-reductase activity / farnesol catabolic process / macromolecule metabolic process / geranylgeranyl reductase activity / 3alpha-hydroxysteroid 3-dehydrogenase / phenanthrene 9,10-monooxygenase activity / cellular response to jasmonic acid stimulus / 3alpha(or 20beta)-hydroxysteroid dehydrogenase / androstan-3-alpha,17-beta-diol dehydrogenase activity / dihydrotestosterone 17-beta-dehydrogenase activity / androsterone dehydrogenase activity / testosterone dehydrogenase (NAD+) activity / testosterone biosynthetic process / RA biosynthesis pathway / retinal metabolic process / regulation of retinoic acid receptor signaling pathway / ketosteroid monooxygenase activity / steroid dehydrogenase activity / Synthesis of bile acids and bile salts via 24-hydroxycholesterol / testosterone 17-beta-dehydrogenase (NADP+) activity / progesterone metabolic process / 17beta-estradiol 17-dehydrogenase / Synthesis of Prostaglandins (PG) and Thromboxanes (TX) / 17-beta-hydroxysteroid dehydrogenase (NAD+) activity / NAD-retinol dehydrogenase activity / aldo-keto reductase (NADP) activity / cyclooxygenase pathway / positive regulation of endothelial cell apoptotic process / prostaglandin H2 endoperoxidase reductase activity / NADP-retinol dehydrogenase activity / Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / daunorubicin metabolic process / oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor / doxorubicin metabolic process / retinal dehydrogenase activity / bile acid binding / prostaglandin metabolic process / retinoid metabolic process / alditol:NADP+ 1-oxidoreductase activity / renal absorption / steroid metabolic process / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / Retinoid metabolism and transport / keratinocyte differentiation / cellular response to calcium ion / cellular response to starvation / response to nutrient / positive regulation of cell death / cellular response to cadmium ion / cellular response to reactive oxygen species / male gonad development / positive regulation of reactive oxygen species metabolic process / positive regulation of protein kinase B signaling / G protein-coupled receptor signaling pathway / positive regulation of cell population proliferation / extracellular exosome / nucleus / cytosol / cytoplasm
Similarity search - Function
Aldo-keto reductase family 1 member C / Aldo/keto reductase family putative active site signature. / Aldo/keto reductase family signature 1. / Aldo/keto reductase family signature 2. / Aldo/keto reductase, conserved site / NADP-dependent oxidoreductase domain / Aldo-keto reductase / NADP-dependent oxidoreductase domain / Aldo/keto reductase family / NADP-dependent oxidoreductase domain superfamily ...Aldo-keto reductase family 1 member C / Aldo/keto reductase family putative active site signature. / Aldo/keto reductase family signature 1. / Aldo/keto reductase family signature 2. / Aldo/keto reductase, conserved site / NADP-dependent oxidoreductase domain / Aldo-keto reductase / NADP-dependent oxidoreductase domain / Aldo/keto reductase family / NADP-dependent oxidoreductase domain superfamily / TIM Barrel / Alpha-Beta Barrel / Alpha Beta
Similarity search - Domain/homology
Chem-15M / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Aldo-keto reductase family 1 member C3
Similarity search - Component
|Biological species||Homo sapiens (human)|
|Method||X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å|
|Authors||Komoto, J. / Yamada, T. / Watanabe, K. / Woodward, D.F. / Takusagawa, F.|
|Citation||Journal: Biochemistry / Year: 2006|
Title: Prostaglandin F2alpha formation from prostaglandin H2 by prostaglandin F synthase (PGFS): crystal structure of PGFS containing bimatoprost.
Authors: Komoto, J. / Yamada, T. / Watanabe, K. / Woodward, D.F. / Takusagawa, F.
|Structure viewer||Molecule: |
Downloads & links
A: Aldo-keto reductase family 1 member C3
|Details||Monomeric protein containing one NADPH and one bimatoprost.|
|#1: Protein|| |
Mass: 36896.215 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: AKR1C3, DDH1, KIAA0119, PGFS / Plasmid: pUC-hLuFS / Production host: Escherichia coli (E. coli) / Strain (production host): HB101
References: UniProt: P42330, trans-1,2-dihydrobenzene-1,2-diol dehydrogenase, EC: 188.8.131.52, prostaglandin-F synthase, 17beta-estradiol 17-dehydrogenase
|#2: Chemical|| ChemComp-NAP / |
|#3: Chemical|| ChemComp-15M / (|
|#4: Water|| ChemComp-HOH / |
|Experiment||Method: X-RAY DIFFRACTION / Number of used crystals: 1|
|Crystal||Density Matthews: 2.26 Å3/Da / Density % sol: 45.46 %|
|Crystal grow||Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 |
Details: 1.0 mM BMP, 1.0 mM NADPH, 0.14 M NaCl, 50 mM MES, 26% PEG-8000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|Diffraction||Mean temperature: 95 K|
|Diffraction source||Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å|
|Detector||Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: May 5, 2005 / Details: confocal optics|
|Radiation||Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray|
|Radiation wavelength||Wavelength: 1.5418 Å / Relative weight: 1|
|Reflection||Resolution: 2→20 Å / Num. all: 19525 / Num. obs: 19525 / % possible obs: 89 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0|
|Reflection shell||Resolution: 2→2.1 Å / % possible all: 63|
|Refinement||Method to determine structure: MOLECULAR REPLACEMENT|
Starting model: pdb entry 1RY0
Resolution: 2→20 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
|Refinement step||Cycle: LAST / Resolution: 2→20 Å|
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