PDBe 3qmo

X-ray diffraction
3Å resolution

X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2

Released:
Source organism: Mus musculus
Primary publication:
The structure of NS-398 bound to cyclooxygenase-2.
J. Struct. Biol. 176 254-8 (2011)
PMID: 21843643

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostaglandin G/H synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 610 amino acids
Theoretical weight: 69.88 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q05769 (Residues: 1-19, 20-604; Coverage: 100%)
Gene names: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
Sequence domains:
Structure domains:

Ligands and Environments

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: I222
Unit cell:
a: 120.428Å b: 131.213Å c: 179.568Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.225
Expression system: Spodoptera frugiperda