SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor glucose-tm-1BETA and 1'-sh ADP-ribose

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).

Ligands and binding sites

• KXJ · N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide · ligand · 2 copies · chains A, B
• KXG · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate · ligand · 2 copies · chains A, B
• NA · Sodium ion · metal · 4 copies · chains A, B
• ZN · Zinc ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 683 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 6NR0 · SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor… · 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
• Every structure of UniProt Q8IXJ6
• Elsewhere: RCSB PDB 6NR0 · PDBe 6NR0 · UniProt Q8IXJ6