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Ligand · B55

B55 · 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one

B55, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one (C5 H5 N5 O S, 183.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
B55
Formula
C5 H5 N5 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

B55 in 4 structures; the first of them:

  • 3H24 · Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase · B55 A901 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3QBC · Structure and design of a new pterin site inhibitor of S. aureus HPPK · B55 A159 · binds GLY9, THR43, ALA44, PRO45, VAL46, PHE54, ASN56, ASP95 and 4 more
  • 3H24 · Structural studies of pterin-based inhibitors of dihydropteroate synthase · B55 A901 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3QBC · Structure and design of a new pterin site inhibitor of S. aureus hppk · B55 A159 · binds GLY9, THR43, ALA44, PRO45, VAL46, PHE54, ASN56, ASP95 and 4 more

Residues it binds most

ASP 8, ILE 4, PHE 8, ASN 8, GLY 8, LEU 8, LYS 8, PRO 4, ALA 4, ARG 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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