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Ligand · TW8

TW8 · 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl) benzaldehyde

TW8, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl) benzaldehyde (C15 H14 N2 O3 S, 302.4 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
TW8
Formula
C15 H14 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TW8 in 2 structures; the first of them:

  • 7BIW · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 · TW8 A301 · binds CSO38, ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215 and 7 more
  • 7BIW · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-187 · TW8 A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, ASP215, LEU218, ILE219 and 5 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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