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Structure of compound 5c-S bound at the active site of COX-2

X-ray diffraction
2.2Å resolution
PDB entry 3ln0 coloured by chain, front view.
PDB entry 3ln0 coloured by chain, side view.
PDB entry 3ln0 coloured by chain, top view.
Source organism: Mus musculus
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 2
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Multimeric state: homo dimer
Accessible surface area: 42431.44 Å2
Buried surface area: 10731.3 Å2
Dissociation area: 2,700.06 Å2
Dissociation energy (ΔGdiss): 20.08 kcal/mol
Dissociation entropy (TΔSdiss): 15.38 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-170244
Assembly 2
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Assembly Name: Prostaglandin G/H synthase 2
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Multimeric state: homo dimer
Accessible surface area: 42390.42 Å2
Buried surface area: 10730.5 Å2
Dissociation area: 2,711.66 Å2
Dissociation energy (ΔGdiss): 18.91 kcal/mol
Dissociation entropy (TΔSdiss): 15.38 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-170244

Macromolecules

Prostaglandin G/H synthase 2
Chains: A, B, C, D
Length: 587 amino acids
Theoretical weight: 67.33 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q05769 (Residues: 18-604; Coverage: 100%)
Gene names: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
Pfam:
InterPro:
CATH:
Prostaglandin G/H synthase 2 in PDB entry 3ln0, assembly 1, front view.
Prostaglandin G/H synthase 2 in PDB entry 3ln0, assembly 1, side view.
Prostaglandin G/H synthase 2 in PDB entry 3ln0, assembly 1, top view.
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