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Ligand · U1B

U1B · 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde

U1B, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde (C12 H14 N2 O4, 250.2 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…

Component
U1B
Formula
C12 H14 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

U1B in 2 structures; the first of them:

  • 7BKH · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153 · U1B A301 · binds ASN42, VAL46, LYS122, PRO167, ILE168, GLY171, ILE219, ILE46 and 4 more
  • 7BKH · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-153 · U1B A301 · binds ASN42, VAL46, LYS122, PRO167, ILE168, GLY171, ILE219, ILE46 and 3 more

Residues it binds most

GLY 4, ARG 4, ILE 2, ASN 4, LYS 4, PRO 4, ALA 2, SEP 2, SER 2, VAL 2 (residue and the binding sites it lines).

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