4XZI

Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049

Summary for 4XZI

• Entry DOI: 10.2210/pdb4xzi/pdb
• Related: 1US0
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]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: 37247.60

Authors

Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Dominguez, M.,de Lera, A.R.,Farres, J.,Pares, X.,Podjarny, A. (deposition date: 2015-02-04, release date: 2015-11-18, Last modification date: 2024-01-10)

• Primary citation: Ruiz, F.X.,Cousido-Siah, A.,Porte, S.,Dominguez, M.,Crespo, I.,Rechlin, C.,Mitschler, A.,de Lera, A.R.,Martin, M.J.,de la Fuente, J.A.,Klebe, G.,Pares, X.,Farres, J.,Podjarny, A.; Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.; Chemmedchem, 10:1989-2003, 2015; PubMed: 26549844; DOI: 10.1002/cmdc.201500393

Experimental method

X-RAY DIFFRACTION (2.45 Å)