4QR6

Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A

Summary for 4QR6

• Entry DOI: 10.2210/pdb4qr6/pdb
• Related: 1US0 4PUU 4PUW 4Q7B 4QBX
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}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: 37002.10

Authors

Rechlin, C.,Heine, A.,Klebe, G. (deposition date: 2014-06-30, release date: 2015-08-12, Last modification date: 2023-09-20)

• Primary citation: Rechlin, C.,Scheer, F.,Toth, P.,Heine, A.,Diederich, W.,Klebe, G.; Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation; To be Published,

Experimental method

X-RAY DIFFRACTION (1.05 Å)