› 6cun

X-ray diffraction
1.29Å resolution

Engineered Cytochrome c from Rhodothermus marinus (Rma TDE) bound to carbene intermediate (1-ethoxy-1-oxopropan-2-ylidene)

Released:
DOI: 10.2210/pdb6cun/pdb
PDB entry 6cun coloured by chain, front view.
PDB entry 6cun coloured by chain, side view.
PDB entry 6cun coloured by chain, top view.
Source organism: Rhodothermus marinus
Primary publication:
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase.
Lewis RD, Garcia-Borràs M, Chalkley MJ, Buller AR, Houk KN, Kan SBJ, Arnold FH
Proc Natl Acad Sci U S A 115 7308-7313 (2018)
PMID: 29946033

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109853 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome c domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 14.03 KDa
Source organism: Rhodothermus marinus
Expression system: Escherichia coli
UniProt:
  • Canonical: B3FQS5 (Residues: 36-152; Coverage: 77%)
Gene name: cytC
Sequence domains: Cytochrome c
Structure domains: Cytochrome c-like domain

Ligands and Environments

2 bound ligands:
Ligand HEC 1 x HEC
Ligand CA1 1 x CA1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P3221
Unit cell:
a: 60.343Å b: 60.343Å c: 77.232Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.182 0.181 0.202
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Artificial Metalloenzymes: Challenges and Opportunities.
Davis et al. (2019)
4 more

6 mentions without citation

Selective CH bond functionalization with engineered heme proteins: new tools to generate complexity.
Zhang et al. (2019)
5 more