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Ligand · V3B

V3B · 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide

V3B, 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide (C15 H19 N3 O3, 289.3 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…

Component
V3B
Formula
C15 H19 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

V3B in 2 structures; the first of them:

  • 7O5G · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164 · V3B A302 · binds LYS122, PRO167, ILE168, GLY171, LEU218, ILE219, ILE46, PRO47
  • 7O5G · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-164 · V3B A302 · binds LYS122, PRO167, ILE168, GLY171, LEU218, ILE219, ILE46, PRO47

Residues it binds most

ILE 2, PRO 2, GLY 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

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

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