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Human Cytochrome P450 2D6 Quinine Complex

X-ray diffraction
2.35Å resolution
PDB entry 4wnv coloured by chain, front view.
PDB entry 4wnv coloured by chain, side view.
PDB entry 4wnv 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
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Assembly Name: Cytochrome P450 2D6
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Multimeric state: monomeric
Accessible surface area: 20372.28 Ã…2
Buried surface area: 2161.0 Ã…2
Dissociation area: 164.93 Ã…2
Dissociation energy (ΔGdiss): 0.3 kcal/mol
Dissociation entropy (TΔSdiss): 0.92 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145367
Assembly 2
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Assembly Name: Cytochrome P450 2D6
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Multimeric state: monomeric
Accessible surface area: 19958.61 Ã…2
Buried surface area: 2096.98 Ã…2
Dissociation area: 165.66 Ã…2
Dissociation energy (ΔGdiss): 0.58 kcal/mol
Dissociation entropy (TΔSdiss): 0.89 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145367
Assembly 3
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Assembly Name: Cytochrome P450 2D6
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Multimeric state: monomeric
Accessible surface area: 19833.13 Ã…2
Buried surface area: 2085.94 Ã…2
Dissociation area: 174.31 Ã…2
Dissociation energy (ΔGdiss): 1.36 kcal/mol
Dissociation entropy (TΔSdiss): 0.89 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145367
Assembly 4 (preferred)
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Assembly Name: Cytochrome P450 2D6
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Multimeric state: monomeric
Accessible surface area: 20042.39 Ã…2
Buried surface area: 1751.99 Ã…2
Dissociation area: 138.1 Ã…2
Dissociation energy (ΔGdiss): 1.67 kcal/mol
Dissociation entropy (TΔSdiss): 0.8 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145367

Macromolecules

Cytochrome P450 2D6
Chains: A, B, C, D
Length: 479 amino acids
Theoretical weight: 53.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10635 (Residues: 9-9, 48-497; Coverage: 91%)
Gene names: CYP2D6, CYP2DL1
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Cytochrome P450 2D6 in PDB entry 4wnv, assembly 4, front view.
Cytochrome P450 2D6 in PDB entry 4wnv, assembly 4, side view.
Cytochrome P450 2D6 in PDB entry 4wnv, assembly 4, top view.
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