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Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide

X-ray diffraction
2.75Å resolution
PDB entry 3n8x coloured by chain, front view.
PDB entry 3n8x coloured by chain, side view.
PDB entry 3n8x coloured by chain, top view.
Source organism: Ovis aries
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Prostaglandin G/H synthase 1
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Multimeric state: homo dimer
Accessible surface area: 41935.73 Å2
Buried surface area: 13547.61 Å2
Dissociation area: 2,907.42 Å2
Dissociation energy (ΔGdiss): 17.79 kcal/mol
Dissociation entropy (TΔSdiss): 15.42 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-138844

Macromolecules

Prostaglandin G/H synthase 1
Chains: A, B
Length: 553 amino acids
Theoretical weight: 63.72 KDa
Source organism: Ovis aries
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P05979 (Residues: 32-584; Coverage: 96%)
Gene names: COX1, PTGS1
Pfam: Animal haem peroxidase
InterPro:
CATH:
Prostaglandin G/H synthase 1 in PDB entry 3n8x, assembly 1, front view.
Prostaglandin G/H synthase 1 in PDB entry 3n8x, assembly 1, side view.
Prostaglandin G/H synthase 1 in PDB entry 3n8x, assembly 1, top view.
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