De novo three-stranded coiled coil peptide containing a tris-thiolate site engineered by D-cysteine ligands

Structure

x-ray diffraction · 1 distinct chain · 93% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 3 copies · chains A, B, C
• ZN · Zinc ion · metal · 4 copies · chains A, C, B
• NH2 · Amino group · ion · 3 copies · chains A, B, C
• CL · Chloride ion · ion · chains A, B
• 15P · Polyethylene glycol (N=34) · additive · 2 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

3 interfaces between chains.

• A–C · 687 Ų buried · 3 hydrogen bonds · protein-protein
• A–B · 669 Ų buried · 2 hydrogen bonds · protein-protein
• B–C · 657 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent, 3 d-amino (covalent ligand, D-amino acid).

Compared structures

• 5U9U · De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 5U9U · PDBe 5U9U