Crystal structure of E. COLI purine nucleoside phosphorylase mutant Y160W with SO4 and formycin a

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 29% strand (DSSP).

Ligands and binding sites

• FMC · (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol · ligand · chains B, C
• SO4 · Sulfate ion · ion · 3 copies · chains A, B, C

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–C · 1766 Ų buried · 26 hydrogen bonds · protein-protein
• B–C · 1628 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 119 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 6XZ2 · Crystal structure of E. Coli purine nucleoside phosphorylase mutant Y160W with SO4 and… · the same entry in another collection · chain A against A, TM-score 1.00
• P0ABP8 · AlphaFold monomer V2.0 prediction for purine nucleoside phosphorylase deod-type (P0ABP8) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P0ABP8
• Elsewhere: RCSB PDB 6XZ2 · PDBe 6XZ2 · UniProt P0ABP8