X-ray structure of a zinc binding GB1 mutant

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 43% strand (DSSP).

Ligands and binding sites

• ZN · Zinc ion · metal · 6 copies · chains A, B, C, D
• CL · Chloride ion · ion · 2 copies · chains D
• SO4 · Sulfate ion · ion · chains D
• EDO · 1,2-ethanediol · additive · 5 copies · chains A, D, C
• ACT · Acetate ion · additive · 3 copies · chains A, D
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains B, C
• MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A, D

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

4 interfaces between chains.

• A–D · 486 Ų buried · 16 hydrogen bonds · protein-protein
• B–C · 298 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 258 Ų buried · 11 hydrogen bonds · protein-protein
• A–C · 75 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 5OFS · X-ray structure of a zinc binding GB1 mutant · 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 5OFS · PDBe 5OFS