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Ligand · UST

UST · 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde

UST, 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde (C15 H13 N O3 S, 287.3 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 binds most and…

Component
UST
Formula
C15 H13 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

UST in 2 structures; the first of them:

  • 7NV4 · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-188 · UST A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215, LEU218 and 6 more
  • 7NV4 · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-188 · UST A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, ASP215, ILE219, ILE46 and 3 more

Residues it binds most

ILE 2, PRO 2, ARG 2, GLY 2, ASN 2, ASP 2, LYS 2, PHE 2, LEU 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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