Crystal structure of pig purple acid phosphatase in complex with maybridge fragment CC063346, dimethyl sulfoxide and citrate

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 25% strand (DSSP).

Ligands and binding sites

• R2J · N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine · ligand · 3 copies · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
• FE · Fe (III) ion · metal · 2 copies · chains A
• NA · Sodium ion · metal · chains A
• PO4 · Phosphate ion · ion · chains A
• CL · Chloride ion · ion · chains A
• DMS · Dimethyl sulfoxide · additive · 8 copies · chains A
• PGE · Triethylene glycol · additive · 5 copies · chains A
• CIT · Citric acid · additive · 5 copies · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A
• GOL · Glycerol · 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.

Modifications

Observed in the structure: 2 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

• 7OV3 · Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment… · the same entry in another collection · chain A against A, TM-score 1.00
• P09889 · AlphaFold monomer V2.0 prediction for tartrate-resistant acid phosphatase type 5 (P09889) · 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 P09889
• Elsewhere: RCSB PDB 7OV3 · PDBe 7OV3 · UniProt P09889