› 5l1u

X-ray diffraction
2.07Å resolution

X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F

Released:
DOI: 10.2210/pdb5l1u/pdb
PDB entry 5l1u coloured by chain, front view.
PDB entry 5l1u coloured by chain, side view.
PDB entry 5l1u coloured by chain, top view.
Source organism: Streptomyces arenae
Primary publication:
The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
Duan L, Jogl G, Cane DE
J Am Chem Soc 138 12678-89 (2016)
PMID: 27588339

Function and Biology Details

Reaction catalysed: 
Pentalenolactone F + O(2) + 2 reduced ferredoxin + 2 H(+) = pentalenolactone + 2 oxidized ferredoxin + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-122922 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pentalenolactone synthase Chain: A
Molecule details ›
Chain: A
Length: 401 amino acids
Theoretical weight: 44.44 KDa
Source organism: Streptomyces arenae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E3VWI3 (Residues: 1-398; Coverage: 100%)
Gene name: pntM
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand 7PF 1 x 7PF
Ligand HEM 1 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P21212
Unit cell:
a: 44.623Å b: 163.86Å c: 82.217Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.154 0.184
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins.
Huang et al. (2018)
5 more

2 mentions without citation

Cytochromes P450 for natural product biosynthesis in Streptomyces: sequence, structure, and function.
Rudolf et al. (2017)
1 more