Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of HAO1 in complex with Z1787627869

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Ligands and binding sites

• FMN · Flavin mononucleotide · ligand · chains A
• GWY · 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine · ligand · 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.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 5QID · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9UJM8 · AlphaFold monomer V2.0 prediction for hydroxyacid oxidase 1 (Q9UJM8) · 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 Q9UJM8
• Elsewhere: RCSB PDB 5QID · PDBe 5QID · UniProt Q9UJM8