› 1pge

X-ray diffraction
3.5Å resolution

PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN)

Released:
DOI: 10.2210/pdb1pge/pdb
PDB entry 1pge coloured by chain, front view.
PDB entry 1pge coloured by chain, side view.
PDB entry 1pge coloured by chain, top view.
Source organism: Ovis aries
Primary publication:
Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Loll PJ, Picot D, Ekabo O, Garavito RM
Biochemistry 35 7330-40 (1996)
PMID: 8652509

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-138844 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Prostaglandin G/H synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 576 amino acids
Theoretical weight: 66.16 KDa
Source organism: Ovis aries
UniProt:
  • Canonical: P05979 (Residues: 25-600; Coverage: 100%)
Gene names: COX1, PTGS1
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 4 x NAG
Ligand BOG 2 x BOG
Ligand ISF 2 x ISF
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: I222
Unit cell:
a: 99.69Å b: 209.94Å c: 234.28Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.231

Quick links

Citations

18 review citations

Cyclooxygenase-2 inhibitors in tumorigenesis (part I).
Taketo MM. (1998)
17 more

5 mentions without citation

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