› 5ikt

X-ray diffraction
2.45Å resolution

The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2

Released:
DOI: 10.2210/pdb5ikt/pdb
PDB entry 5ikt coloured by chain, front view.
PDB entry 5ikt coloured by chain, side view.
PDB entry 5ikt 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 (3 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
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand TLF 2 x TLF
Ligand PO4 6 x PO4
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: I222
Unit cell:
a: 126.669Å b: 149.759Å c: 185.726Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.22
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

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

23 mentions without citation

Cyclooxygenase-2 in glioblastoma multiforme.
Qiu et al. (2017)
22 more