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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide
FLF 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid
NAP Nadp nicotinamide-adenine-dinucleotide phosphate
Non-standard Residues
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Glycosylation
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Code : 1S2C   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
Release Data : 2004-03-23
Compound :
mol_id molecule chains synonym
1 Aldo-keto reductase family 1 member C3 A AKR1C3, prostaglandin D2 11-ketoreductase, Prostaglandin F synthase, 3-alpha-HSD-type-2, 17-beta-HSD-type-5
ec: 1.1.1.213, 1.3.1.20, 1.1.1.62
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
expression_system_vector_type: plasmid
expression_system_plasmid: pET21b
Authors : Lovering, A.L., Ride, J.P., Bunce, C.M., Desmond, J.C., Cummings, S.M., White, S.A.
Keywords : TIM-Barrel, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin.

Lovering, A.L.,Ride, J.P.,Bunce, C.M.  et al.
(2004)  Cancer Res.  64 : 1802 - 1810

PubMed: 14996743
DOI: 10.1158/0008-5472.CAN-03-2847

Chain : A
UniProt : P42330 (AK1C3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 3alpha-hydroxysteroid + NADP(+) = a 3-oxosteroid + H(+) + NADPH 1.1.1.357 PubMed:11165022, PubMed:7650035, PubMed:9415401, PubMed:9927279
-
a 3alpha-hydroxysteroid + NAD(+) = a 3-oxosteroid + H(+) + NADH 1.1.1.357 PubMed:11165022, PubMed:7650035, PubMed:9415401, PubMed:9927279
-
NADP(+) + prostaglandin F2alpha = H(+) + NADPH + prostaglandin D2 1.1.1.188 PubMed:10622721, PubMed:11165022, PubMed:7650035, PubMed:9415401, PubMed:9927279
-
NADP(+) + prostaglandin F2alpha = H(+) + NADPH + prostaglandin H2 - PubMed:15047184, PubMed:19010934
right-to-left
H(+) + NADPH + prostaglandin D2 = 11beta-prostaglandin F2 + NADP(+) - PubMed:10622721, PubMed:15047184, PubMed:20036328
right-to-left PubMed:10622721
H(+) + NADPH + prostaglandin D2-ethanolamide = 11beta- prostaglandin F2-ethanolamide + NADP(+) - PubMed:15047184
left-to-right
NAD(+) + testosterone = androst-4-ene-3,17-dione + H(+) + NADH 1.1.1.239 PubMed:10998348, PubMed:11165022, PubMed:9415401, PubMed:9927279
right-to-left PubMed:10998348
NADP(+) + testosterone = androst-4-ene-3,17-dione + H(+) + NADPH 1.1.1.64 PubMed:10998348, PubMed:11165022, PubMed:20036328, PubMed:9415401, PubMed:9927279
right-to-left PubMed:10998348, PubMed:20036328
17beta-estradiol + NADP(+) = estrone + H(+) + NADPH 1.1.1.62 PubMed:10998348, PubMed:11165022, PubMed:20036328
right-to-left PubMed:10998348, PubMed:20036328
17beta-estradiol + NAD(+) = estrone + H(+) + NADH 1.1.1.62 PubMed:10998348
right-to-left
(20S)-hydroxypregn-4-en-3-one + NADP(+) = H(+) + NADPH + progesterone - PubMed:10998348, PubMed:20036328
right-to-left PubMed:10998348, PubMed:20036328
(20S)-hydroxypregn-4-en-3-one + NAD(+) = H(+) + NADH + progesterone - PubMed:10998348
right-to-left PubMed:10998348, PubMed:20036328
5alpha-androstane-3alpha,17beta-diol + NADP(+) = 17beta- hydroxy-5alpha-androstan-3-one + H(+) + NADPH - PubMed:10557352, PubMed:10998348, PubMed:11165022, PubMed:14672942, PubMed:7650035, PubMed:9415401
right-to-left PubMed:10998348, PubMed:14672942
5alpha-androstane-3alpha,17beta-diol + NAD(+) = 17beta- hydroxy-5alpha-androstan-3-one + H(+) + NADH 1.1.1.53 PubMed:10998348
right-to-left
androsterone + H(+) + NADPH = 5alpha-androstane-3alpha,17beta- diol + NADP(+) - PubMed:10557352, PubMed:10998348, PubMed:9415401
right-to-left PubMed:10998348
5alpha-androstane-3alpha,17beta-diol + NAD(+) = androsterone + H(+) + NADH - PubMed:10998348, PubMed:14672942, PubMed:9415401
left-to-right PubMed:10998348, PubMed:14672942
5alpha-androstane-3beta,17beta-diol + NADP(+) = 17beta- hydroxy-5alpha-androstan-3-one + H(+) + NADPH 1.1.1.210 PubMed:14672942
right-to-left
9-cis-retinol + NADP(+) = 9-cis-retinal + H(+) + NADPH - PubMed:21851338
right-to-left