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) |
Structure validation
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