› 5u9u

X-ray diffraction
1.69Å resolution

De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands

Released:
DOI: 10.2210/pdb5u9u/pdb
PDB entry 5u9u coloured by chain, front view.
PDB entry 5u9u coloured by chain, side view.
PDB entry 5u9u coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Ruckthong L, Peacock AFA, Pascoe CE, Hemmingsen L, Stuckey JA, Pecoraro VL
Chemistry 23 8232-8243 (2017)
PMID: 28384393

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166151 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Apo-(CoilSer L16(DCY))3 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 31 amino acids
Theoretical weight: 3.33 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand ZN 4 x ZN
Ligand 15P 2 x 15P
Ligand CL 1 x CL
1 modified residue:
Ligand DCY 3 x DCY

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 32.327Å b: 67.517Å c: 69.034Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.179 0.199
Expression system: Not provided

Quick links

Citations

1 review citation

Catalysis and Electron Transfer in De Novo Designed Metalloproteins.
Koebke et al. (2022)
5 other articles