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Ligand · S0S

S0S · (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol

S0S, (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol (C10 H14 N2 O3 S, 242.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
S0S
Formula
C10 H14 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S0S in 2 structures; the first of them:

  • 5R58 · PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with… · S0S A401 · binds LYS60, TYR87, PHE90, LEU91, TRP95, PRO120, ALA144, GLU145 and 2 more
  • 5R58 · Pandda analysis group deposition -- crystal structure of human NUDT22 in complex with… · S0S A401 · binds LYS60, TYR87, PHE90, LEU91, TRP95, PRO120, ALA144, GLU145 and 2 more

Residues it binds most

ALA 2, ARG 2, GLU 2, HIS 2, LEU 2, LYS 2, PHE 2, PRO 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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