› 4tpn

X-ray diffraction
1.18Å resolution

High-resolution structure of TxtE in the absence of substrate

Released:
DOI: 10.2210/pdb4tpn/pdb
PDB entry 4tpn coloured by chain, front view.
PDB entry 4tpn coloured by chain, side view.
PDB entry 4tpn coloured by chain, top view.
Source organism: Streptomyces scabiei 87.22
Primary publication:
Structural, functional, and spectroscopic characterization of the substrate scope of the novel nitrating cytochrome P450 TxtE.
Dodani SC, Cahn JK, Heinisch T, Brinkmann-Chen S, McIntosh JA, Arnold FH
Chembiochem 15 2259-67 (2014)
PMID: 25182183

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 Chain: A
Molecule details ›
Chain: A
Length: 406 amino acids
Theoretical weight: 44.83 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 1 x HEM
Ligand GOL 4 x GOL
Ligand SO4 5 x SO4
Ligand LI 1 x LI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 65.696Å b: 79.436Å c: 112.355Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.171
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Expanding the enzyme universe: accessing non-natural reactions by mechanism-guided directed evolution.
Renata et al. (2015)
6 more

2 mentions without citation

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