4PUW

Human Aldose Reductase complexed with a ligand with an IDD structure (2-[5-fluoro-2-(prop-2-ynylcarbamoyl)phenoxy]acetic acid) at 1.12 A

Summary for 4PUW

• Entry DOI: 10.2210/pdb4puw/pdb
• Related: 1us0 2ikj 4puu
• Descriptor: Aldose reductase, [5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid, CITRIC ACID, ... (5 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: 37085.08

Authors

Rechlin, C.,Heine, A.,Klebe, G. (deposition date: 2014-03-14, release date: 2015-04-08, Last modification date: 2023-09-20)

• Primary citation: Rechlin, C.,Heine, A.,Scheer, F.,Toth, P.,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 (1.12 Å)