Crystal structure of native human myeloperoxidase in complex with cpd 3

Structure

x-ray diffraction · 3 distinct chains.

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C, B, D
• UE8 · 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1, 2,3,7-tetrahydro-6H-purin-6-one · ligand · 2 copies · chains A, C, B, D
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains C, D, B, A
• BMA · beta-D-mannopyranose · sugar · 4 copies · chains D, C, A
• FUC · alpha-L-fucopyranose · sugar · 2 copies · chains C, D
• CA · Calcium ion · metal · 2 copies · chains A, C, B, D
• CL · Chloride ion · ion · 5 copies · chains A, C, B, D

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

Compared structures

• 7NI3 · Crystal structure of native human myeloperoxidase in complex with cpd 3 · the same entry in another collection · 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 P05164
• Elsewhere: RCSB PDB 7NI3 · PDBe 7NI3 · UniProt P05164