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 Cited by PubMed Abstract: Flexibility is a common feature of proteins. For human aldose reductase, a variety of conformers have been observed in crystalline complexes with different inhibitors. PubMed: 21684320 DOI: 10.1016/j.bbagen.2011.06.001 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.69 Å)

Structure validation