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Human Cytochrome P450 CYP17A1 in complex with Abiraterone

X-ray diffraction
2.6Å resolution
PDB entry 3ruk coloured by chain, front view.
PDB entry 3ruk coloured by chain, side view.
PDB entry 3ruk 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: Steroid 17-alpha-hydroxylase/17,20 lyase
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Multimeric state: monomeric
Accessible surface area: 21560.7 Å2
Buried surface area: 1206.38 Å2
Dissociation area: 603.19 Å2
Dissociation energy (ΔGdiss): 18.18 kcal/mol
Dissociation entropy (TΔSdiss): 5.88 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138421
Assembly 2
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Assembly Name: Steroid 17-alpha-hydroxylase/17,20 lyase
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Multimeric state: monomeric
Accessible surface area: 21551.32 Å2
Buried surface area: 1219.67 Å2
Dissociation area: 609.83 Å2
Dissociation energy (ΔGdiss): 18.32 kcal/mol
Dissociation entropy (TΔSdiss): 5.88 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138421
Assembly 3
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Assembly Name: Steroid 17-alpha-hydroxylase/17,20 lyase
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Multimeric state: monomeric
Accessible surface area: 21927.35 Å2
Buried surface area: 1215.48 Å2
Dissociation area: 607.74 Å2
Dissociation energy (ΔGdiss): 18.25 kcal/mol
Dissociation entropy (TΔSdiss): 5.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138421
Assembly 4
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Assembly Name: Steroid 17-alpha-hydroxylase/17,20 lyase
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Multimeric state: monomeric
Accessible surface area: 21929.36 Å2
Buried surface area: 1225.25 Å2
Dissociation area: 612.62 Å2
Dissociation energy (ΔGdiss): 18.86 kcal/mol
Dissociation entropy (TΔSdiss): 5.87 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138421

Macromolecules

Steroid 17-alpha-hydroxylase/17,20 lyase
Chains: A, B, C, D
Length: 494 amino acids
Theoretical weight: 55.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05093 (Residues: 24-508; Coverage: 96%)
Gene names: CYP17, CYP17A1, S17AH
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Steroid 17-alpha-hydroxylase/17,20 lyase in PDB entry 3ruk, assembly 1, front view.
Steroid 17-alpha-hydroxylase/17,20 lyase in PDB entry 3ruk, assembly 1, side view.
Steroid 17-alpha-hydroxylase/17,20 lyase in PDB entry 3ruk, assembly 1, top view.
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