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Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene

X-ray diffraction
1.6Å resolution
PDB entry 7wy3 coloured by chain, front view.
PDB entry 7wy3 coloured by chain, side view.
PDB entry 7wy3 coloured by chain, top view.
Source organism: Priestia megaterium
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Bifunctional cytochrome P450/NADPH--P450 reductase
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Multimeric state: monomeric
Accessible surface area: 18868.59 Å2
Buried surface area: 1856.29 Å2
Dissociation area: 86.09 Å2
Dissociation energy (ΔGdiss): 0.54 kcal/mol
Dissociation entropy (TΔSdiss): 0.9 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-147079
Assembly 2
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Assembly Name: Bifunctional cytochrome P450/NADPH--P450 reductase
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Multimeric state: monomeric
Accessible surface area: 18988.63 Å2
Buried surface area: 1789.4 Å2
Dissociation area: 111.8 Å2
Dissociation energy (ΔGdiss): -1.04 kcal/mol
Dissociation entropy (TΔSdiss): 0.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-147079

Macromolecules

Bifunctional cytochrome P450/NADPH--P450 reductase
Chains: A, B
Length: 456 amino acids
Theoretical weight: 52.25 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14779 (Residues: 1-456; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Pfam: Cytochrome P450
InterPro:
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 7wy3, assembly 1, front view.
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 7wy3, assembly 1, side view.
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 7wy3, assembly 1, top view.
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