Aldose reductase in complex with nsaid-type inhibitor at 1.0 a resolution

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Ligands and binding sites

• NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
• SUZ · [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid · ligand · chains A
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
• PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane · additive · 2 copies · chains A
• CIT · Citric acid · additive · chains A
• PG4 · Tetraethylene glycol · additive · 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

• 3U2C · Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution · 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 1.00

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 3U2C · PDBe 3U2C · UniProt P15121