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Ligand · W8G

W8G · 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine

W8G, 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine (C10 H13 N5 S, 235.3 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…

Component
W8G
Formula
C10 H13 N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W8G in 2 structures; the first of them:

  • 4CLH · Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary… · W8G A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, TYR174, LEU208, PRO210
  • 4CLH · Crystal structure of pteridine reductase 1 (PTR1) from trypanosoma brucei in ternary… · W8G A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, TYR174, LEU208, PRO210

Residues it binds most

PHE 16, PRO 16, ASP 16, LEU 14, MET 8, TYR 16, ALA 8, ARG 8, CYS 8, GLY 8 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ACT · Acetate ion

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