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Ligand · USW

USW · 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl) sulfonyl]benzaldehyde

USW, 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl) sulfonyl]benzaldehyde (C15 H12 Cl N O4 S, 337.8 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…

Component
USW
Formula
C15 H12 Cl N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

USW in 2 structures; the first of them:

  • 7NVI · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 · USW A301 · binds CSO38, ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215 and 8 more
  • 7NVI · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-186 · USW A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, LEU218, ILE219, ILE46 and 4 more

Residues it binds most

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

Found with

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

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