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4ICC

Crystal structure of human AKR1B10 complexed with NADP+ and JF0064

Summary for 4ICC
Entry DOI10.2210/pdb4icc/pdb
Related1ZUA 4ICE 4ICF 4IGS
DescriptorAldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, ... (4 entities in total)
Functional Keywordstim barrel, aldo-keto reductase, oxidoreductase, halogenated compound, cytosolic, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationLysosome : O60218
Total number of polymer chains1
Total formula weight37480.59
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: 2012-12-10, release date: 2014-02-19, Last modification date: 2023-09-20)
Primary citationCousido-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: 24598757
DOI: 10.1107/S1399004713033452
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.752 Å)
Structure validation

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