4DBW

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin

Summary for 4DBW

Entry DOI	10.2210/pdb4dbw/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid, ... (4 entities in total)
Functional Keywords	castrate resistant prostate cancer, akr1c3 selective inhibitor, tim barrel, steroid metabolism, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P42330
Total number of polymer chains	2
Total formula weight	76654.28
Authors	Chen, M.,Christianson, D.W.,Marnett, L.J.,Penning, T.M. (deposition date: 2012-01-16, release date: 2013-03-06, Last modification date: 2023-09-13)
Primary citation	Liedtke, A.J.,Adeniji, A.O.,Chen, M.,Byrns, M.C.,Jin, Y.,Christianson, D.W.,Marnett, L.J.,Penning, T.M. Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. J.Med.Chem., 56:2429-2446, 2013 Cited by PubMed: 23432095 DOI: 10.1021/jm3017656 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.802 Å)

Structure validation