Crystal structure of double mutant E. COLI purine nucleoside phosphorylase with 4 fmc molecules

Structure

x-ray diffraction · 2 distinct chains · 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 · 4 copies · chains A, D, C, F
• PO4 · Phosphate ion · ion · 6 copies · chains A, D, B, E, C, F
• SO4 · Sulfate ion · ion · 5 copies · chains C, D, E, F

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

Pockets

12 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Interfaces

12 interfaces between chains.

• C–E · 1778 Ų buried · 25 hydrogen bonds · protein-protein
• B–D · 1767 Ų buried · 22 hydrogen bonds · protein-protein
• A–F · 1760 Ų buried · 27 hydrogen bonds · protein-protein
• A–D · 1716 Ų buried · 2 hydrogen bonds · protein-protein
• C–F · 1712 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 4TTI · Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 4 FMC… · the same entry in another collection · chain F against F, 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 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 P0ABP8
• Elsewhere: RCSB PDB 4TTI · PDBe 4TTI · UniProt P0ABP8