› 1eqg

X-ray diffraction
2.61Å resolution

THE 2.6 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH IBUPROFEN

Released:
DOI: 10.2210/pdb1eqg/pdb
PDB entry 1eqg coloured by chain, front view.
PDB entry 1eqg coloured by chain, side view.
PDB entry 1eqg coloured by chain, top view.
Source organism: Ovis aries
Primary publication:
Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Selinsky BS, Gupta K, Sharkey CT, Loll PJ
Biochemistry 40 5172-80 (2001)
PMID: 11318639

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:
  • not assigned
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
Macromolecule:
Prostaglandin G/H synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 580 amino acids
Theoretical weight: 66.6 KDa
Source organism: Ovis aries
UniProt:
  • Canonical: P05979 (Residues: 21-600; Coverage: 100%)
Gene names: COX1, PTGS1
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
3 bound ligands:
Ligand NAG 10 x NAG
Ligand BOG 3 x BOG
Ligand IBP 2 x IBP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: I222
Unit cell:
a: 98.65Å b: 204.99Å c: 221.96Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.223 0.25

Quick links

Citations

13 review citations

Enzymes of the cyclooxygenase pathways of prostanoid biosynthesis.
Smith et al. (2011)
12 more

55 mentions without citation

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