› 3q7d

X-ray diffraction
2.4Å resolution

Structure of (R)-naproxen bound to mCOX-2.

Released:
DOI: 10.2210/pdb3q7d/pdb
PDB entry 3q7d coloured by chain, front view.
PDB entry 3q7d coloured by chain, side view.
PDB entry 3q7d coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Duggan KC, Hermanson DJ, Musee J, Prusakiewicz JJ, Scheib JL, Carter BD, Banerjee S, Oates JA, Marnett LJ
Nat Chem Biol 7 803-9 (2011)
PMID: 22053353

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
Macromolecule:
Prostaglandin G/H synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
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 2 x HEM
4 bound ligands:
Ligand NAG 8 x NAG
Ligand NPX 2 x NPX
Ligand BOG 5 x BOG
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: I222
Unit cell:
a: 122.735Å b: 133.028Å c: 181.039Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.177 0.233
Expression system: Spodoptera frugiperda

Quick links

Citations

26 review citations

The modern pharmacology of paracetamol: therapeutic actions, mechanism of action, metabolism, toxicity and recent pharmacological findings.
Graham et al. (2013)
25 more

4 mentions without citation

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