4YS1
Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A.
Summary for 4YS1
Entry DOI | 10.2210/pdb4ys1/pdb |
Related | 1US0 4PUU 4PUW 4Q7B 4QBX 4QR6 4RPQ |
Descriptor | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, ... (4 entities in total) |
Functional Keywords | tim barrel, oxidoreductase, inhibitor, complex |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: P15121 |
Total number of polymer chains | 1 |
Total formula weight | 36989.04 |
Authors | Rechlin, C.,Heine, A.,Klebe, G. (deposition date: 2015-03-16, release date: 2016-03-23, Last modification date: 2024-01-10) |
Primary citation | Rechlin, C.,Scheer, F.,Terwesten, F.,Wulsdorf, T.,Pol, E.,Fridh, V.,Toth, P.,Diederich, W.E.,Heine, A.,Klebe, G. Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem. Biol., 12:1397-1415, 2017 Cited by PubMed: 28287700DOI: 10.1021/acschembio.7b00062 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.07 Å) |
Structure validation
Download full validation report