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Ligand · 79W

79W · 3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde

79W, 3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde (C11 H10 O4 S, 238.3 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, the residues it…

Component
79W
Formula
C11 H10 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

79W in 2 structures; the first of them:

  • 2YDU · Crystal structure of YopH in complex with 3-(1,1-dioxido-3… · 79W A1469 · binds PHE229, ILE232, ASP356, GLN357, THR358, CYS403, ARG404, ALA405 and 6 more
  • 2YDU · Crystal structure of yoph in complex with 3-(1,1-dioxido-3-oxoisothiazolidin-5-YL)BENZALDE… · 79W A1469 · binds PHE229, ILE232, ASP356, GLN357, THR358, CYS403, ARG404, ALA405 and 6 more

Residues it binds most

GLN 2, ARG 2, GLY 2, ALA 2, ASP 2, CYS 2, ILE 2, PHE 2, THR 2, VAL 2 (residue and the binding sites it lines).

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