Complex of aldose reductase with NADP+ and simaltaneously bound competetive inhibitors fidarestat and IDD594. concentration of fidarestat in soaking solution is less than concentration of IDD594.

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Ligands and binding sites

• NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• LDT · Idd594 · ligand · chains A
• FID · (2S,4S)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione · ligand · chains A
• CL · Chloride ion · ion · chains A
• CIT · Citric acid · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 2PFH · Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors… · the same entry in another collection · chain A against A, TM-score 1.00
• P15121 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member B1 (P15121) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P15121
• Elsewhere: RCSB PDB 2PFH · PDBe 2PFH · UniProt P15121