› 5ikq

X-ray diffraction
2.41Å resolution

The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2

Released:
DOI: 10.2210/pdb5ikq/pdb
PDB entry 5ikq coloured by chain, front view.
PDB entry 5ikq coloured by chain, side view.
PDB entry 5ikq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
Orlando BJ, Malkowski MG
J Biol Chem 291 15069-81 (2016)
PMID: 27226593

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-152890 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Prostaglandin G/H synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 551 amino acids
Theoretical weight: 63.43 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P35354 (Residues: 19-569; Coverage: 94%)
Gene names: COX2, PTGS2
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand COH 2 x COH
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
4 bound ligands:
Ligand BOG 1 x BOG
Ligand JMS 2 x JMS
Ligand NAG 4 x NAG
Ligand AKR 3 x AKR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: I222
Unit cell:
a: 120.509Å b: 134.053Å c: 179.382Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.212
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

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

39 mentions without citation

Ellagic Acid, Kaempferol, and Quercetin from Acacia nilotica: Promising Combined Drug With Multiple Mechanisms of Action.
Al-Nour et al. (2019)
38 more