2ayl

X-ray diffraction
2Å resolution

2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine Prostaglandin H2 Synthase-1 Complexed With Flurbiprofen

Released:
Source organism: Ovis aries
Primary publication:
2.0 angstroms structure of prostaglandin H2 synthase-1 reconstituted with a manganese porphyrin cofactor.
Acta Crystallogr D Biol Crystallogr 62 151-6 (2006)
PMID: 16421446

Function and Biology Details

Reaction catalysed:
Arachidonate + AH(2) + 2 O(2) = prostaglandin H(2) + A + H(2)O
Biochemical function:
Biological process:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-138844 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Prostaglandin G/H synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 553 amino acids
Theoretical weight: 63.72 KDa
Source organism: Ovis aries
UniProt:
  • Canonical: P05979 (Residues: 32-584; Coverage: 96%)
Gene names: COX1, PTGS1
Sequence domains: Animal haem peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand MNH 2 x MNH
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer : NEW Components: NAG, MAN
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: I222
Unit cell:
a: 98.931Å b: 206.55Å c: 221.553Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.237