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Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771

X-ray diffraction
2.3Å resolution
PDB entry 5k7k coloured by chain, front view.
PDB entry 5k7k coloured by chain, side view.
PDB entry 5k7k coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Cytochrome P450 2C9
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Multimeric state: monomeric
Accessible surface area: 20951.74 Å2
Buried surface area: 1193.34 Å2
Dissociation area: 596.67 Å2
Dissociation energy (ΔGdiss): 19.5 kcal/mol
Dissociation entropy (TΔSdiss): 5.85 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145899

Macromolecules

Cytochrome P450 2C9
Chain: A
Length: 477 amino acids
Theoretical weight: 54.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11712 (Residues: 23-489; Coverage: 95%)
Gene names: CYP2C10, CYP2C9
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Cytochrome P450 2C9 in PDB entry 5k7k, assembly 1, front view.
Cytochrome P450 2C9 in PDB entry 5k7k, assembly 1, side view.
Cytochrome P450 2C9 in PDB entry 5k7k, assembly 1, top view.
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