3P2V

Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase

Summary for 3P2V

• Entry DOI: 10.2210/pdb3p2v/pdb
• Related: 2PZN 3LEN 3M01 3MB9
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid, ... (4 entities in total)
• Functional Keywords: tim barrel, 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: 37268.49

Authors

Koch, C.,Heine, A.,Klebe, G. (deposition date: 2010-10-04, release date: 2011-08-24, Last modification date: 2023-11-01)

• Primary citation: Koch, C.,Heine, A.,Klebe, G.; Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase; Biochim.Biophys.Acta, 1810:879-887, 2011; PubMed: 21684320; DOI: 10.1016/j.bbagen.2011.06.001

Experimental method

X-RAY DIFFRACTION (1.69 Å)