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Ligand · THG

THG · (6S)-5,6,7,8-tetrahydrofolate

THG, (6S)-5,6,7,8-tetrahydrofolate (C19 H23 N7 O6, 445.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
THG
Formula
C19 H23 N7 O6
Class
ligand
Structures
7
PDB entries
6

Binding sites

THG in 7 structures; the first of them:

  • 5T7O · Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in… · THG A702 · binds VAL26, VAL27, ALA28, ASP48, MET49, PHE52, ARG53, THR80 and 9 more
  • 5X1L · Vanillate/3-O-methylgallate O-demethylase, LigM, tetrahydrofolate complex form · THG B501 · binds GLN57, MET61, ASN81, ALA91, LYS92, GLN93, ASP106, GLY107 and 11 more
  • 6A9A · Ternary complex crystal structure of dCH with dCMP and THF · THG A303 · binds LYS28, ASN53, TYR56, ARG59, GLU60, PRO79, ILE81, TRP82 and 7 more
  • 6MT8 · E. coli DHFR complex modeled with two ligand states · THG A208 · binds ILE5, ALA6, ALA7, MET16, MET20, ASP27, LEU28, TRP30 and 9 more
  • 7VG5 · 10,5-methenyltetrahydrofolate cyclohydrolase from Methylobacterium extorquens AM1 with… · THG A301 · binds GLY22, GLY23, GLY24, ASP79, PHE83, ALA114, PRO118, ASN164 and 6 more
  • 7WI9 · The THF-II riboswitch bound to THF and soaking with SeUrea · THG V101 · binds U17, A21, C22, G25, C43, U44, A45
  • 7VG5 · 10,5-methenyltetrahydrofolate cyclohydrolase from methylobacterium extorquens AM1 with… · THG A301 · binds GLY22, GLY23, GLY24, ASP79, PHE83, ALA114, PRO118, ASN164 and 5 more

Residues it binds most

PHE 12, VAL 11, GLY 7, ASP 11, ASN 7, ILE 8, PRO 10, ALA 11, ARG 6, THR 5 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • DCM · 2'-deoxycytidine-5'-monophosphate
  • DHF · Dihydrofolic acid
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SEY · selenourea
  • UMP · 2'-deoxyuridine 5'-monophosphate
  • MG · Magnesium ion
  • CL · Chloride ion
  • IOD · Iodide ion

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