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Ligand · TWQ

TWQ · 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde

TWQ, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde (C13 H16 N2 O4, 264.3 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…

Component
TWQ
Formula
C13 H16 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

TWQ in 2 structures; the first of them:

  • 7BJL · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 · TWQ A301 · binds ASN42, SER45, VAL46, LYS122, PRO167, ILE168, GLY171, ILE219 and 4 more
  • 7BJL · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-142 · TWQ A301 · binds ASN42, VAL46, LYS122, PRO167, GLY171, ILE219, ILE46, GLY48 and 1 more

Residues it binds most

ILE 2, GLY 2, ARG 2, ASN 2, LYS 2, PRO 2, SER 1, VAL 2 (residue and the binding sites it lines).

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