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Ligand · A4V

A4V · 3-benzyladenine

A4V, 3-benzyladenine (C12 H12 N5 +1, 226.3 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 most and the ligands found with it.

Component
A4V
Formula
C12 H12 N5 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

A4V in 2 structures; the first of them:

  • 4BR3 · Determination of potential scaffolds for human choline kinase alpha 1 by chemical… · A4V A1459 · binds ILE116, LEU124, LEU144, ARG146, PRO194, GLU206, GLN207, PHE208 and 5 more
  • 4BR3 · Determination of potential scaffolds for human choline kinase alpha 1 by chemical… · A4V A1459 · binds ILE116, LEU124, LEU144, ARG146, PRO194, GLU206, GLN207, PHE208 and 5 more

Residues it binds most

ILE 4, LEU 4, ARG 4, GLN 4, GLU 4, PHE 4, PRO 4, SER 4, ASP 2 (residue and the binding sites it lines).

Found with

  • U85 · 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium
  • PO4 · Phosphate ion

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