› 5d3u

X-ray diffraction
1.45Å resolution

Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE

Released:
DOI: 10.2210/pdb5d3u/pdb
PDB entry 5d3u coloured by chain, front view.
PDB entry 5d3u coloured by chain, side view.
PDB entry 5d3u coloured by chain, top view.
Source organism: Streptomyces scabiei 87.22
Primary publication:
Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Dodani SC, Kiss G, Cahn JK, Su Y, Pande VS, Arnold FH
Nat Chem 8 419-25 (2016)
PMID: 27102675

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111896 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative P450-like protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 427 amino acids
Theoretical weight: 47.14 KDa
Source organism: Streptomyces scabiei 87.22
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C9ZDC6 (Residues: 1-406; Coverage: 100%)
Gene name: SCAB_31831
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 2 x HEM
Ligand TRP 2 x TRP
Ligand GOL 2 x GOL
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 74.795Å b: 99.351Å c: 105.499Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.251
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

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

1 mention without citation

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