4ph9

X-ray diffraction
1.81Å resolution

The structure of Ibuprofen bound to cyclooxygenase-2

Released:
Source organism: Mus musculus
Primary publication:
The structure of ibuprofen bound to cyclooxygenase-2.
J Struct Biol 189 62-6 (2015)
PMID: 25463020

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:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-170244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Prostaglandin G/H synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 551 amino acids
Theoretical weight: 63.46 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q05769 (Residues: 20-568; Coverage: 94%)
Gene names: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
Sequence domains:
Structure domains:

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: I222
Unit cell:
a: 120.941Å b: 132.228Å c: 180.462Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.197
Expression system: Spodoptera frugiperda