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Ligand · TNT

TNT · 1,3-bis(amidinophenoxy)propane

TNT, 1,3-bis(amidinophenoxy)propane (C17 H20 N4 O2, 312.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
TNT
Formula
C17 H20 N4 O2
Class
ligand
Structures
5
PDB entries
2

Binding sites

TNT in 5 structures; the first of them:

  • 102D · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the… · TNT B25 · binds DA6, DT7, DT8, DT9, DG10, DA17, DA18, DT19 and 2 more
  • 102D · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the… · TNT B25 · binds DA6, DT7, DT8, DT9, DG10, DA17, DA18, DT19 and 2 more
  • 1PRP · Crystal structure of D(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue… · TNT A25 · binds DA5, DA6, DT7, DT8, DC9, DG10, DG16, DA17 and 4 more
  • 102D · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the… · TNT B25 · binds DA6, DT7, DT8, DT9, DG10, DA17, DA18, DT19 and 2 more
  • 1PRP · Crystal structure of D(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue… · TNT A25 · binds DA5, DA6, DT7, DT8, DC9, DG10, DG16, DA17 and 4 more

Residues it binds most

DT 5, DA 5, DG 5, DC 2 (residue and the binding sites it lines).

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