Structural and mechanistic insights into helicobacter pylori nikr function

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 35% strand (DSSP).

Ligands and binding sites

• SO4 · Sulfate ion · ion · 5 copies · chains A, B
• GOL · Glycerol · additive · 3 copies · chains A, B
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
• CIT · Citric acid · additive · chains A

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

1 interface between chains.

• A–B · 2787 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

• 2WVE · Structural and mechanistic insights into Helicobacter pylori NikR function · the same entry in another collection · chain A against A, TM-score 1.00
• O25896 · AlphaFold monomer V2.0 prediction for putative nickel-responsive regulator (O25896) · a predicted model of the same protein · chain B against A, TM-score 0.90

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 O25896
• Elsewhere: RCSB PDB 2WVE · PDBe 2WVE · UniProt O25896