4LAU

Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

Summary for 4LAU

Entry DOI	10.2210/pdb4lau/pdb
Related	1US0 2IKI 4LAZ 4LB3 4LB4 4LBR 4LBS
Descriptor	Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid, ... (4 entities in total)
Functional Keywords	tim barrel, oxidoreductase, diabetes, halogenated compound, cytosolic
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P15121
Total number of polymer chains	1
Total formula weight	37040.38
Authors	Cousido-Siah, A.,Mitschler, A.,Ruiz, F.X.,Fanfrlik, J.,Kolar, M.,Hobza, P.,Podjarny, A. (deposition date: 2013-06-20, release date: 2014-04-30, Last modification date: 2023-09-20)
Primary citation	Fanfrlik, J.,Kolar, M.,Kamlar, M.,Hurny, D.,Ruiz, F.X.,Cousido-Siah, A.,Mitschler, A.,Rezac, J.,Munusamy, E.,Lepsik, M.,Matejicek, P.,Vesely, J.,Podjarny, A.,Hobza, P. Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8:2484-2492, 2013 Cited by PubMed: 23988122 DOI: 10.1021/cb400526n PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (0.843 Å)

Structure validation