Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1-diphosphoinositol pentakisphosphate, mg, and fluoride ion, presoaked with 1,5-IP8, mg and fluoride for 30 seconds

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 40% strand (DSSP).

Ligands and binding sites

• O81 · (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy) cyclohexyl trihydrogen diphosphate · ligand · chains A
• MG · Magnesium ion · metal · 3 copies · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• F · Fluoride ion · ion · 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, 0 with a druggability of 0.5 or more.

Compared structures

• 6WOI · Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• O95989 · AlphaFold monomer V2.0 prediction for diphosphoinositol polyphosphate phosphohydrolase 1… · 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 O95989
• Elsewhere: RCSB PDB 6WOI · PDBe 6WOI · UniProt O95989