› 4cox

X-ray diffraction
2.9Å resolution

CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN

Released:
DOI: 10.2210/pdb4cox/pdb
PDB entry 4cox coloured by chain, front view.
PDB entry 4cox coloured by chain, side view.
PDB entry 4cox coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Kurumbail RG, Stevens AM, Gierse JK, McDonald JJ, Stegeman RA, Pak JY, Gildehaus D, Miyashiro JM, Penning TD, Seibert K, Isakson PC, Stallings WC
Nature 384 644-8
PMID: 8967954

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 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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 587 amino acids
Theoretical weight: 67.32 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
2 bound ligands:
Ligand NAG 12 x NAG
Ligand IMN 4 x IMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P21212
Unit cell:
a: 179.8Å b: 133.6Å c: 118.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.219 0.309
Expression system: Spodoptera frugiperda

Quick links

Citations

164 review citations

Cyclooxygenases 1 and 2.
Vane et al. (1998)
163 more

60 mentions without citation

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