3BCJ

Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A

Summary for 3BCJ

Related1X98 1PWM
DescriptorAldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CITRIC ACID, ... (5 entities in total)
Functional Keywordsaldo-keto reductases, diabetes, drug design, polyl pathway, acetylation, cataract, cytoplasm, nadp, oxidoreductase, polymorphism
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P15121
Total number of polymer chains1
Total molecular weight37113.09
Authors
Zhao, H.T.,El-Kabbani, O. (deposition date: 2007-11-13, release date: 2008-04-08, Last modification date: 2011-07-13)
Primary citation
Zhao, H.T.,Hazemann, I.,Mitschler, A.,Carbone, V.,Joachimiak, A.,Ginell, S.,Podjarny, A.,El-Kabbani, O.
Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism
J.Med.Chem., 51:1478-1481, 2008
PubMed: 18284183 (PDB entries with the same primary citation)
DOI: 10.1021/jm701514k
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (0.78 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1122802.5%3.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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