Crystal structure of plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with dadme-immg and phosphate

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 32% strand (DSSP).

Ligands and binding sites

• IM5 · 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one · ligand · chains A
• PO4 · Phosphate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · 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

• 6AQS · Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant… · the same entry in another collection · chain A against A, TM-score 1.00
• Q8T9Z7 · AlphaFold monomer V2.0 prediction for purine nucleoside phosphorylase (Q8T9Z7) · 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 Q8T9Z7
• Elsewhere: RCSB PDB 6AQS · PDBe 6AQS · UniProt Q8T9Z7