Crystal structure of a three-stranded coiled coil peptide containing a trigonal planar HG(II)S3 site modified by D-leu in the second coordination sphere

Structure

x-ray diffraction · 1 distinct chain · 92% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 3 copies · chains A, B, C
• PRO · Proline · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 3 copies · chains A, B, C
• HG · Mercury (II) ion · metal · chains A, B, C
• 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, C

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

Interfaces

3 interfaces between chains.

• B–C · 856 Ų buried · 4 hydrogen bonds · protein-protein
• A–C · 820 Ų buried · 1 hydrogen bond · protein-protein
• A–B · 766 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 6EGN · Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar… · 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 6EGN · PDBe 6EGN