Structure analysis

Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir

X-ray diffraction
2.718Å resolution
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo tetramer
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 19600 Å2
Buried surface area: 2700 Å2
Dissociation area: 750 Å2
Dissociation energy (ΔGdiss): 9 kcal/mol
Dissociation entropy (TΔSdiss): 6 kcal/mol
Interface energy (ΔGint): -38 kcal/mol
Symmetry number: 1
Assembly 2
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Multimeric state: homo tetramer
Accessible surface area: 71300 Å2
Buried surface area: 17800 Å2
Dissociation area: 3,600 Å2
Dissociation energy (ΔGdiss): 22 kcal/mol
Dissociation entropy (TΔSdiss): 45 kcal/mol
Interface energy (ΔGint): -209 kcal/mol
Symmetry number: 4

Macromolecules

Chain: A
Length: 487 amino acids
Theoretical weight: 55.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08684 (Residues: 21-503; Coverage: 96%)
Gene names: CYP3A3, CYP3A4
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome p450

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