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 Cited by PubMed: 24598757DOI: 10.1107/S1399004713033452 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (0.85 Å) |
Structure validation
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