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Ligand · KXG

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

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 (C15 H23 N5 O13 P2 S, 575.4 g/mol), in…

Component
KXG
Formula
C15 H23 N5 O13 P2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KXG in 2 structures; the first of them:

  • 6NR0 · SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor… · KXG A403 · binds GLY84, ALA85, GLY86, THR89, ASP95, PHE96, ARG97, SER98 and 13 more
  • 6NR0 · SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor… · KXG A403 · binds GLY84, ALA85, GLY86, THR89, ASP95, PHE96, ARG97, SER98 and 13 more

Residues it binds most

GLY 4, GLU 4, PHE 4, SER 4, THR 4, ALA 4, ARG 4, ASN 4, ASP 4, CYS 4 (residue and the binding sites it lines).

Found with

  • KXJ · N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide
  • NA · Sodium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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