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Ligand · AX4

AX4 · 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine

AX4, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine (C11 H12 N4 S, 232.3 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…

Component
AX4
Formula
C11 H12 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

AX4 in 2 structures; the first of them:

  • 3BMO · Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with… · AX4 A274 · binds ARG14, SER95, PHE97, ASP161, TYR174, VAL206, LEU208, LEU209 and 3 more
  • 3BMO · Structure of pteridine reductase 1 (PTR1) from trypanosoma brucei in ternary complex with… · AX4 A274 · binds ARG14, SER95, PHE97, ASP161, TYR174, VAL206, LEU208, LEU209 and 3 more

Residues it binds most

LEU 8, SER 8, ARG 8, ASP 8, MET 8, PHE 8, PRO 8, TRP 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • D1D · (4S,5S)-1,2-dithiane-4,5-diol
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • NA · Sodium ion
  • ACT · Acetate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • GOL · Glycerol

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