› 8hop

X-ray diffraction
1.86Å resolution

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr

Released:
DOI: 10.2210/pdb8hop/pdb
Model geometry
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PDB entry 8hop coloured by chain, front view.
PDB entry 8hop coloured by chain, side view.
PDB entry 8hop 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-273223 (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-Nap-Tyr Chains: C, D
Molecule details ›
Chains: C, D
Length: 3 amino acids
Theoretical weight: 543 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 ALN 2 x ALN

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL10U2
Spacegroup: P21
Unit cell:
a: 58.816Å b: 147.934Å c: 64.787Å
α: 90° β: 100.08° γ: 90°
R-values:
R R work R free
0.198 0.196 0.222
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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