Human aldose reductase complexed with novel NAPHTHO[1,2- D]ISOTHIAZOLE acetic acid derivative (2)

Structure

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

Ligands and binding sites

• ITB · 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide · ligand · 3 copies · chains A
• NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A

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

Pockets

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

Compared structures

• 2NVD · Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid… · 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 2NVD · PDBe 2NVD · UniProt P15121