Human aldehyde oxidase in complex with phthalazine and thioridazine

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

Ligands and binding sites

• FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A
• MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · chains A
• MOS · Dioxothiomolybdenum(vi) ion · ligand · chains A
• FAD · Flavin-adenine dinucleotide · ligand · chains A
• 4FT · phthalazine · ligand · chains A
• LZU · 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine · ligand · chains A
• RTZ · 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine · ligand · chains A
• MLI · Malonate ion · additive · 2 copies · chains A

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

Pockets

15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Compared structures

• 4UHX · Human aldehyde oxidase in complex with phthalazine and thioridazine · the same entry in another collection · chain A against A, TM-score 1.00
• Q06278 · AlphaFold monomer V2.0 prediction for aldehyde oxidase (Q06278) · 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 Q06278
• Elsewhere: RCSB PDB 4UHX · PDBe 4UHX · UniProt Q06278