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Ligand · 5RW

5RW · 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one

5RW, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one (C12 H10 F N5 O S, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
5RW
Formula
C12 H10 F N5 O S
Class
ligand
Structures
3
PDB entries
3

Binding sites

5RW in 3 structures; the first of them:

  • 5ETM · E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and… · 5RW A201 · binds GLY8, THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55 and 5 more
  • 5ETR · S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and… · 5RW B202 · binds ASN11, THR43, ALA44, PRO45, VAL46, GLY47, TYR48, GLN51 and 8 more
  • 7ALA · human GCH-GFRP inhibitory complex · 5RW A302 · binds ASP127, GLU128, MET129, LEU157, VAL233, ASP237, THR240, GLU243 and 8 more

Residues it binds most

ARG 8, THR 8, GLU 5, MET 5, PRO 5, ASP 6, GLY 4, GLN 5, LEU 6, ASN 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • APC · Diphosphomethylphosphonic acid adenosyl ester
  • CL · Chloride ion
  • CA · Calcium ion
  • MG · Magnesium ion
  • ZN · Zinc ion

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