4IGS

Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064

Summary for 4IGS

• Entry DOI: 10.2210/pdb4igs/pdb
• Related: 1US0 2J8T 4ICC 4ICE 4ICF
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, ... (4 entities in total)
• Functional Keywords: tim barrel, aldose reductase, oxidoreductase, diabetes, halogenated compound, cytosolic, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P15121
• Total number of polymer chains: 1
• Total formula weight: 36971.87

Authors

Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Porte, S.,de Lera, A.R.,Martin, M.J.,de la Fuente, J.A.,Klebe, G.,Farres, J.,Pares, X.,Podjarny, A. (deposition date: 2012-12-18, release date: 2014-03-19, Last modification date: 2023-09-20)

• Primary citation: Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Porte, S.,de Lera, A.R.,Martin, M.J.,Manzanaro, S.,de la Fuente, J.A.,Terwesten, F.,Betz, M.,Klebe, G.,Farres, J.,Pares, X.,Podjarny, A.; Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.; Acta Crystallogr.,Sect.D, 70:889-903, 2014; PubMed: 24598757; DOI: 10.1107/S1399004713033452

Experimental method

X-RAY DIFFRACTION (0.85 Å)