› 5f19

X-ray diffraction
2.04Å resolution

The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2

Released:
DOI: 10.2210/pdb5f19/pdb
PDB entry 5f19 coloured by chain, front view.
PDB entry 5f19 coloured by chain, side view.
PDB entry 5f19 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Lucido MJ, Orlando BJ, Vecchio AJ, Malkowski MG
Biochemistry 55 1226-38 (2016)
PMID: 26859324

Function and Biology Details

Reaction catalysed: 
Arachidonate + AH(2) + 2 O(2) = prostaglandin H(2) + A + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152890 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Prostaglandin G/H synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 552 amino acids
Theoretical weight: 63.6 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P35354 (Residues: 19-569; Coverage: 94%)
Gene names: COX2, PTGS2
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand COH 2 x COH
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
4 bound ligands:
Ligand NAG 3 x NAG
Ligand AKR 4 x AKR
Ligand EDO 15 x EDO
Ligand BOG 1 x BOG
1 modified residue:
Ligand OAS 2 x OAS

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: I222
Unit cell:
a: 114.2Å b: 130.13Å c: 178.03Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.168 0.207
Expression system: Spodoptera frugiperda

Quick links

Citations

16 review citations

Beyond COX-1: the effects of aspirin on platelet biology and potential mechanisms of chemoprevention.
Ornelas et al. (2017)
15 more

96 mentions without citation

Structural and Chemical Biology of the Interaction of Cyclooxygenase with Substrates and Non-Steroidal Anti-Inflammatory Drugs.
Rouzer et al. (2020)
95 more