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Ligand · IQW

IQW · 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

IQW, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (C13 H13 N5, 239.3 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
IQW
Formula
C13 H13 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

IQW in 2 structures; the first of them:

  • 4CM1 · Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary… · IQW A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, TYR174, GLY205, VAL206 and 4 more
  • 4CM1 · Crystal structure of pteridine reductase 1 (PTR1) from trypanosoma brucei in ternary… · IQW A1270 · binds ARG14, SER95, ALA96, PHE97, ASP161, TYR174, GLY205, VAL206 and 4 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ACT · Acetate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane

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