Crystal structure of ni-containing superoxide dismutase with ni- ligation corresponding to the thiosulfate-reduced state

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

Ligands and binding sites

• THJ · Thiosulfate · ligand · 12 copies · chains A, C, B, E, D, F, G, I, H, K, J, L
• NI · Nickel (II) ion · metal · 12 copies · chains A, C, B, E, D, F, G, I, H, K, J, L
• SO4 · Sulfate ion · ion · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

26 interfaces between chains.

• D–F · 941 Ų buried · 15 hydrogen bonds · protein-protein
• J–L · 940 Ų buried · 11 hydrogen bonds · protein-protein
• B–E · 936 Ų buried · 10 hydrogen bonds · protein-protein
• H–K · 932 Ų buried · 15 hydrogen bonds · protein-protein
• A–C · 930 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 1Q0K · Crystal structure of Ni-containing superoxide dismutase with Ni-ligation corresponding to… · the same entry in another collection · chain L against L, 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
• Every structure of UniProt P80734
• Elsewhere: RCSB PDB 1Q0K · PDBe 1Q0K · UniProt P80734