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Ligand · XX8

XX8 · {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol

XX8, {3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol (C13 H15 N3 O, 229.3 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…

Component
XX8
Formula
C13 H15 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XX8 in 2 structures; the first of them:

  • 4N4D · Structure of ThiT with AV-38 bound · XX8 A201 · binds TRP34, ILE36, GLU84, TYR85, TYR122, HIS125, ALA128, GLY129 and 6 more
  • 4N4D · Structure of thit with av-38 bound · XX8 A201 · binds TRP34, ILE36, GLU84, TYR85, TYR122, HIS125, ALA128, GLY129 and 6 more

Residues it binds most

TYR 4, SER 4, TRP 4, ALA 4, ASN 4, GLU 4, GLY 4, HIS 4, ILE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • BNG · nonyl beta-D-glucopyranoside
  • CL · Chloride ion
  • 1PE · Pentaethylene glycol
  • P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol
  • PEG · Di(hydroxyethyl)ether
  • PG0 · 2-(2-methoxyethoxy)ethanol
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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