Crystal structure of arachidonic acid bound to a mutant of prostagladin H synthase-1 that forms predominantly 11-hpete.

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 8% strand (DSSP).

Ligands and binding sites

• COH · Protoporphyrin IX containing co · ligand · chains A
• ACD · Arachidonic acid · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
• NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A
• BMA · beta-D-mannopyranose · sugar · 2 copies
• BOG · octyl beta-D-glucopyranoside · additive · 4 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

• 1U67 · Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that… · the same entry in another collection · chain A against A, TM-score 1.00
• P05979 · AlphaFold monomer V2.0 prediction for prostaglandin G/H synthase 1 (P05979) · 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 P05979
• Elsewhere: RCSB PDB 1U67 · PDBe 1U67 · UniProt P05979