5LIU

Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388

Summary for 5LIU

Entry DOI	10.2210/pdb5liu/pdb
Descriptor	Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, ... (5 entities in total)
Functional Keywords	alpha-beta tim barrel, cytosol, aldo-keto reductase, halogenated ligand, oxidoreductase
Biological source	Homo sapiens (Human)
Cellular location	Lysosome : O60218
Total number of polymer chains	1
Total formula weight	37616.13
Authors	Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Fanfrlik, J.,Kamlar, M.,Vesely, J.,Hobza, P.,Podjarny, A. (deposition date: 2016-07-15, release date: 2016-07-27, Last modification date: 2024-01-10)
Primary citation	Cousido-Siah, A.,Ruiz, F.X.,Fanfrlik, J.,Gimenez-Dejoz, J.,Mitschler, A.,Kamlar, M.,Vesely, J.,Ajani, H.,Pares, X.,Farres, J.,Hobza, P.,Podjarny, A.D. IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11:2693-2705, 2016 Cited by PubMed: 27359042 DOI: 10.1021/acschembio.6b00382 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.75 Å)

Structure validation