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Ligand · 6QT

6QT · (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one

6QT, (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one (C15 H12 O4, 256.3 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…

Component
6QT
Formula
C15 H12 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

6QT in 4 structures; the first of them:

  • 5K6A · Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 · 6QT A302 · binds ARG14, SER95, PHE97, ASP161, MET163, CSX168, TYR174, GLY205 and 6 more
  • 5L4N · Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1 · 6QT A601 · binds ARG17, SER111, PHE113, LEU188, TYR194, LEU226, LEU229, ARG287
  • 5K6A · Trypanosoma brucei pteridine reductase 1 (PTR1) in complex with compound 1 · 6QT A302 · binds ARG14, SER95, PHE97, MET163, TYR174, GLY205, VAL206, LEU208 and 3 more
  • 5L4N · Leishmania major pteridine reductase 1 (PTR1) in complex with compound 1 · 6QT A601 · binds ARG17, SER111, PHE113, LEU188, TYR194, LEU226, LEU229, ARG287

Residues it binds most

LEU 10, ARG 12, PHE 12, SER 12, TYR 12, MET 8, TRP 8, GLY 7, VAL 7, PRO 6 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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