4QXI

Crystal structure of human AR complexed with NADP+ and AK198

Summary for 4QXI

• Entry DOI: 10.2210/pdb4qxi/pdb
• Related: 1US0 2IKI
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid, ... (4 entities in total)
• Functional Keywords: tim barrel, aldose reductase, oxidoreductase, diabetes, halogenated compound, cytosolic
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P15121
• Total number of polymer chains: 1
• Total formula weight: 36994.49

Authors

Cousido-Siah, A.,Mitschler, A.,Ruiz, F.X.,Fanfrlik, J.,Hobza, P.,Podjarny, A.D. (deposition date: 2014-07-21, release date: 2015-07-22, Last modification date: 2023-11-08)

• Primary citation: Fanfrlik, J.,Ruiz, F.X.,Kadlcikova, A.,Rezac, J.,Cousido-Siah, A.,Mitschler, A.,Haldar, S.,Lepsik, M.,Kolar, M.H.,Majer, P.,Podjarny, A.D.,Hobza, P.; The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.; Acs Chem.Biol., 10:1637-1642, 2015; PubMed: 25919404; DOI: 10.1021/acschembio.5b00151

Experimental method

X-RAY DIFFRACTION (0.867 Å)