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Ligand · 3AY

3AY · Pyrimidine-2,4,6-triamine

3AY, Pyrimidine-2,4,6-triamine (C4 H7 N5, 125.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
3AY
Formula
C4 H7 N5
Class
ligand
Structures
5
PDB entries
3

Binding sites

3AY in 5 structures; the first of them:

  • 2G9C · Modified pyrimidines Specifically bind the purine riboswitch · 3AY A91 · binds A21, U22, U47, C50, U51, A52, A73, U74 and 1 more
  • 2RBX · Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine. · 3AY X2001 · binds HIS175, ALA176, LEU177, GLY178, LYS179, THR180, PRO190, GLY191 and 5 more
  • 8OF2 · Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6… · 3AY A301 · binds ARG14, SER95, ALA96, PHE97, ASP161, TYR174, LEU208, PRO210
  • 2G9C · Modified pyrimidines specifically bind the purine riboswitch · 3AY A91 · binds A21, U22, U47, C50, U51, A52, A73, U74 and 1 more
  • 2RBX · Cytochrome C peroxidase W191G in complex with pyrimidine-2,4,6- triamine. · 3AY X2001 · binds HIS175, ALA176, LEU177, GLY178, LYS179, THR180, PRO190, GLY191 and 5 more

Residues it binds most

U 2, LEU 6, A 2, ALA 6, ASP 6, GLY 2, PRO 5, ARG 4, MET 2, PHE 4 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • HEM · Protoporphyrin IX containing Fe
  • NCO · Cobalt hexammine(iii)
  • PO4 · Phosphate ion
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol

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