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Ligand · XHP

XHP · 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one

XHP, 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one (C7 H7 N5 O, 177.2 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
XHP
Formula
C7 H7 N5 O
Class
ligand
Structures
11
PDB entries
6

Binding sites

XHP in 11 structures; the first of them:

  • 3TYB · Dihydropteroate Synthase in complex with pHBA and DHP+ · XHP A701 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYC · Dihydropteroate Synthase in complex with DHP+ · XHP A701 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYD · Dihydropteroate Synthase in complex with PPi and DHP+ · XHP A801 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYE · Dihydropteroate Synthase in complex with DHP-STZ · XHP B901 · binds THR67, ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187 and 5 more
  • 3TYZ · Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate… · XHP A278 · binds THR62, ASP96, ASN115, ILE117, CYS137, MET139, ASP185, PHE188 and 5 more
  • 8SCD · Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction… · XHP A301 · binds SER49, ASP82, ASN101, ILE103, VAL123, MET125, ASP172, MET175 and 5 more
  • 3TYB · Dihydropteroate synthase in complex with phba and dhp+ · XHP A701 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYC · Dihydropteroate synthase in complex with dhp+ · XHP A701 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYD · Dihydropteroate synthase in complex with ppi and dhp+ · XHP A801 · binds ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187, PHE189 and 4 more
  • 3TYE · Dihydropteroate synthase in complex with dhp-stz · XHP B901 · binds THR67, ASP101, ASN120, ILE122, ILE143, MET145, ASP184, ILE187 and 5 more
  • 3TYZ · Crystal structure of the yersinia pestis dihydropteroate synthetase with substrate… · XHP A278 · binds THR62, ASP96, ASN115, ILE117, CYS137, MET139, ASP185, PHE188 and 5 more

Residues it binds most

ILE 19, ASP 19, PHE 19, MET 19, ARG 19, ASN 19, LYS 19, GLY 18, LEU 18, THR 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • POP · Pyrophosphate 2-
  • PAB · 4-aminobenzoic acid
  • MG · Magnesium ion
  • PHB · P-hydroxybenzoic acid
  • XTZ · 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl) methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
  • YTZ · 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
  • CL · Chloride ion
  • GOL · Glycerol

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