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Ligand · I43

I43 · 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one

I43, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one (C11 H16 N2 O4, 240.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
I43
Formula
C11 H16 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

I43 in 2 structures; the first of them:

  • 4IVQ · Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with… · I43 A501 · binds HIS58, LYS62, GLU83, TRP88, ILE97, ILE100, TYR101, GLN125 and 8 more
  • 4IVQ · Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with… · I43 A501 · binds HIS58, LYS62, GLU83, TRP88, ILE97, ILE100, TYR101, GLN125 and 8 more

Residues it binds most

TYR 4, ARG 4, ALA 4, ILE 4, MET 4, GLN 4, GLU 4, HIS 4, TRP 4, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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