› 8hos

X-ray diffraction
1.82Å resolution

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr

Released:
DOI: 10.2210/pdb8hos/pdb
PDB entry 8hos coloured by chain, front view.
PDB entry 8hos coloured by chain, side view.
PDB entry 8hos coloured by chain, top view.
Source organisms:
Primary publication:
Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Qin X, Jiang Y, Yao F, Chen J, Kong F, Zhao P, Jin L, Cong Z
Angew Chem Int Ed Engl 62 e202311259 (2023)
PMID: 37713467

Function and Biology Details

Reactions catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
NADPH + n oxidized hemoprotein = NADP(+) + n reduced hemoprotein
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-242297 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 465 amino acids
Theoretical weight: 53.35 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
Sequence domains: Cytochrome P450
Im-C6-Phe(4NO2)-Tyr Chains: C, D
Molecule details ›
Chains: C, D
Length: 3 amino acids
Theoretical weight: 538 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
No bound ligands
1 modified residue:
Ligand PPN 2 x PPN

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL10U2
Spacegroup: P21
Unit cell:
a: 58.436Å b: 147.341Å c: 64.26Å
α: 90° β: 99.71° γ: 90°
R-values:
R R work R free
0.182 0.18 0.209
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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