› 7w9d

X-ray diffraction
1.55Å resolution

Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine

Released:
DOI: 10.2210/pdb7w9d/pdb
PDB entry 7w9d coloured by chain, front view.
PDB entry 7w9d coloured by chain, side view.
PDB entry 7w9d coloured by chain, top view.
Source organism: Priestia megaterium
Entry authors: Karasawa M, Stanfield JK, Kasai C, Sugimoto H, Shoji O

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
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147081 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 456 amino acids
Theoretical weight: 52.3 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

Ligands and Environments

3 bound ligands:
Ligand MI9 2 x MI9
Ligand 8PD 2 x 8PD
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL45XU
Spacegroup: P21
Unit cell:
a: 58.754Å b: 146.716Å c: 62.854Å
α: 90° β: 98.04° γ: 90°
R-values:
R R work R free
0.169 0.168 0.186
Expression system: Escherichia coli BL21(DE3)

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