3n8z

X-ray diffraction
2.9Å resolution

Crystal Structure of Cyclooxygenase-1 in Complex with Flurbiprofen

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-138844 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Prostaglandin G/H synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 553 amino acids
Theoretical weight: 63.72 KDa
Source organism: Ovis aries
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P05979 (Residues: 32-584; Coverage: 96%)
Gene names: COX1, PTGS1
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
Carbohydrate polymer : NEW Components: NAG, NDG
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: P65
Unit cell:
a: 181.49Å b: 181.49Å c: 103.661Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.176 0.207
Expression system: Spodoptera frugiperda