› 5wll

X-ray diffraction
1.9Å resolution

De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1

Released:
DOI: 10.2210/pdb5wll/pdb
PDB entry 5wll coloured by chain, front view.
PDB entry 5wll coloured by chain, side view.
PDB entry 5wll coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
Zhang SQ, Chino M, Liu L, Tang Y, Hu X, DeGrado WF, Lombardi A
J Am Chem Soc 140 1294-1304 (2018)
PMID: 29249157

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166281 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Helical Bundle 4DH1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 28 amino acids
Theoretical weight: 3.21 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand ZN 5 x ZN
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P3121
Unit cell:
a: 80.782Å b: 80.782Å c: 64.923Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.22 0.219 0.238
Expression system: Not provided

Quick links

Citations

2 review citations

Recent Progress Using De Novo Design to Study Protein Structure, Design and Binding Interactions.
Ferrando et al. (2021)
1 more

4 mentions without citation

Rational Design of Artificial Metalloproteins and Metalloenzymes with Metal Clusters.
Lin YW. (2019)
3 more