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Crystal structure of CYP3A4 in complex with an inhibitor

X-ray diffraction
2.95Å resolution
PDB entry 4ny4 coloured by chain, front view.
PDB entry 4ny4 coloured by chain, side view.
PDB entry 4ny4 coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo tetramer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Cytochrome P450 3A4
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Multimeric state: monomeric
Accessible surface area: 20716.96 Å2
Buried surface area: 1235.84 Å2
Dissociation area: 617.92 Å2
Dissociation energy (ΔGdiss): 20.49 kcal/mol
Dissociation entropy (TΔSdiss): 5.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140289
Assembly 2
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Assembly Name: Cytochrome P450 3A4
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Multimeric state: homo tetramer
Accessible surface area: 77750.69 Å2
Buried surface area: 10031.87 Å2
Dissociation area: 2,546.08 Å2
Dissociation energy (ΔGdiss): 13.37 kcal/mol
Dissociation entropy (TΔSdiss): 44.73 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-140292

Macromolecules

Cytochrome P450 3A4
Chain: A
Length: 484 amino acids
Theoretical weight: 55.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08684 (Residues: 25-503; Coverage: 95%)
Gene names: CYP3A3, CYP3A4
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Cytochrome P450 3A4 in PDB entry 4ny4, assembly 1, front view.
Cytochrome P450 3A4 in PDB entry 4ny4, assembly 1, side view.
Cytochrome P450 3A4 in PDB entry 4ny4, assembly 1, top view.
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