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Ligand · HHR

HHR · 6-hydroxymethylpterin

HHR, 6-hydroxymethylpterin (C7 H7 N5 O2, 193.2 g/mol), in the MolNFT structures on GenesisL1: bound in 13 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
HHR
Formula
C7 H7 N5 O2
Class
ligand
Structures
13
PDB entries
8

Binding sites

HHR in 13 structures; the first of them:

  • 1RU2 · Crystal structure of a ternary complex of E.COLI HPPK(V83G/DEL84-89) with mgampcpp and… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, TYR53, ASN55, ASP95, ASP97 and 2 more
  • 1TMM · Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, ARG92 and 3 more
  • 2W54 · Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with… · HHR B1780 · binds GLU232, LEU303, PRO306, ARG310, PHE344, SER458, PHE459, THR460 and 5 more
  • 3IP0 · Crystal structure of E. coli HPPK in complex with MgAMPCPP and… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55 and 6 more
  • 7S2I · Crystal structure of sulfonamide resistance enzyme Sul1 in complex with… · HHR A301 · binds SER49, ASP82, ASN101, ILE103, VAL123, MET125, ASP173, PHE179 and 5 more
  • 7S2M · Crystal structure of sulfonamide resistance enzyme Sul3 in complex with… · HHR A301 · binds ASP82, ASN101, ILE103, VAL123, MET125, ASP172, PHE178, MET205 and 3 more
  • 7TQ1 · Crystal structure of adaptive laboratory evolved sulfonamide-resistant Dihydropteroate… · HHR A301 · binds ASP96, ASN115, ILE117, CYS137, MET139, ASP185, PHE188, PHE192 and 4 more
  • 8D5H · Crystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured… · HHR A303 · binds THR51, ASP86, ASN105, VAL107, VAL128, MET130, ASP177, LEU180 and 5 more
  • 1RU2 · Crystal structure of a ternary complex of E.COLI HPPK(V83G/DEL84-89) with mgampcpp and… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, TYR53, ASN55, ASP95, ASP97 and 2 more
  • 1TMM · Crystal structure of ternary complex of E.COLI HPPK(W89A) with mgampcpp and… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, LEU45, TYR53, ASN55, ARG92 and 3 more
  • 2W54 · Crystal structure of xanthine dehydrogenase from rhodobacter capsulatus in complex with… · HHR B1780 · binds GLU232, LEU303, PRO306, ARG310, PHE344, SER458, PHE459, THR460 and 5 more
  • 3IP0 · Crystal structure of E. COLI hppk in complex with mgampcpp and 6… · HHR A181 · binds GLY8, THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55 and 6 more
  • 8D5H · Crystal structure of dihydropteroate synthase (folp-SMZ_B27) from soil uncultured… · HHR A303 · binds ASP86, ASN105, VAL107, VAL128, MET130, ASP177, PHE183, PHE209 and 3 more

Residues it binds most

PHE 27, ASP 19, LEU 19, ARG 27, PRO 16, ALA 11, ASN 19, GLU 10, THR 18, GLY 11 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • APC · Diphosphomethylphosphonic acid adenosyl ester
  • MG · Magnesium ion
  • ACT · Acetate ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • HHS · 6-carboxypterin
  • XAX · {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
  • BA · Barium ion
  • PEG · Di(hydroxyethyl)ether

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