Crystal structures of cyanide-and triiodide-bound forms of arthromyces ramosus peroxidase at different pH values. perturbations of active site residues and their implication in enzyme catalysis

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 7% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
• CA · Calcium ion · metal · 2 copies · chains A
• CYN · Cyanide 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

• 1ARU · Crystal structures of cyanide-and triiodide-bound forms of arthromyces ramosus peroxidase… · the same entry in another collection · chain A against A, TM-score 1.00
• P28313 · AlphaFold monomer V2.0 prediction for peroxidase (P28313) · 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 P28313
• Elsewhere: RCSB PDB 1ARU · PDBe 1ARU · UniProt P28313