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Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan

X-ray diffraction
2.1Å resolution
PDB entry 6k24 coloured by chain, front view.
PDB entry 6k24 coloured by chain, side view.
PDB entry 6k24 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: 19113.55 Å2
Buried surface area: 257.64 Å2
Dissociation area: 128.82 Å2
Dissociation energy (ΔGdiss): -3.13 kcal/mol
Dissociation entropy (TΔSdiss): 0.09 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: 19216.88 Å2
Buried surface area: 259.82 Å2
Dissociation area: 129.91 Å2
Dissociation energy (ΔGdiss): -2.61 kcal/mol
Dissociation entropy (TΔSdiss): 0.08 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-147079

Macromolecules

Bifunctional cytochrome P450/NADPH--P450 reductase
Chains: A, B
Length: 481 amino acids
Theoretical weight: 54.98 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 2-457; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Pfam: Cytochrome P450
InterPro:
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 6k24, assembly 1, front view.
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 6k24, assembly 1, side view.
Bifunctional cytochrome P450/NADPH--P450 reductase in PDB entry 6k24, assembly 1, top view.
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