› 4m10

X-ray diffraction
2.01Å resolution

Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam

Released:
DOI: 10.2210/pdb4m10/pdb
PDB entry 4m10 coloured by chain, front view.
PDB entry 4m10 coloured by chain, side view.
PDB entry 4m10 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Oxicams bind in a novel mode to the cyclooxygenase active site via a two-water-mediated H-bonding Network.
Xu S, Hermanson DJ, Banerjee S, Ghebreselasie K, Clayton GM, Garavito RM, Marnett LJ
J Biol Chem 289 6799-6808 (2014)
PMID: 24425867

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-170244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Prostaglandin G/H synthase 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 587 amino acids
Theoretical weight: 67.33 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q05769 (Residues: 18-604; Coverage: 100%)
Gene names: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 8 x NAG
Ligand ICD 4 x ICD
Ligand BOG 4 x BOG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Unit cell:
a: 122.612Å b: 134.077Å c: 180.439Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.22
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

The Biosynthesis of Enzymatically Oxidized Lipids.
Hajeyah et al. (2020)
5 more

6 mentions without citation

Oxicams, a class of nonsteroidal anti-inflammatory drugs and beyond.
Xu et al. (2014)
5 more