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Ligand · HC6

HC6 · (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)

HC6, (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) (C24 H34 N2 O4 +2, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å…

Component
HC6
Formula
C24 H34 N2 O4 +2
Class
ligand
Structures
8
PDB entries
6

Binding sites

HC6 in 8 structures; the first of them:

  • 3F2R · Crystal structure of human choline kinase alpha in complex with hemicholinium-3 · HC6 A603 · binds ASP306, GLN308, TYR333, GLU349, TYR354, PHE361, TRP420, TRP423 and 4 more
  • 3G15 · Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP · HC6 A603 · binds ASP306, GLN308, TYR333, GLU349, TYR354, PHE361, TRP420, TRP423 and 4 more
  • 8J74 · Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open… · HC6 A704 · binds TRP62, GLU73, TYR80, GLN86, TYR91, TRP141, LEU246, LEU247 and 5 more
  • 8J75 · Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open… · HC6 A601 · binds TRP62, TYR80, TYR91, TRP141, LEU247, GLY251, TRP254, TRP406 and 3 more
  • 8ZQO · Human high-affinity choline transporter CHT1 bound to HC-3 under NaCl condition, with… · HC6 A603 · binds TRP62, GLU73, TYR80, TYR91, TRP141, LEU247, GLY251, TRP254 and 4 more
  • 9BIM · Cryo-EM structure of human CHT1 in the HC-3 bound outward-facing state · HC6 A701 · binds TRP62, GLU73, TYR80, TYR91, TRP141, LEU246, LEU247, GLY250 and 6 more
  • 3F2R · Crystal structure of human choline kinase alpha in complex with hemicholinium-3 · HC6 A603 · binds ASP306, GLN308, TYR333, GLU349, TYR354, PHE361, TRP420, TRP423 and 4 more
  • 3G15 · Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP · HC6 A603 · binds ASP306, GLN308, TYR333, GLU349, TYR354, PHE361, TRP420, TRP423 and 4 more

Residues it binds most

TYR 13, TRP 13, GLU 12, PHE 8, GLN 10, ASP 8, ILE 8, LEU 5, GLY 5, SER 5 (residue and the binding sites it lines).

Found with

  • UNX · Unknown atom or ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
  • R16 · Hexadecane
  • Y01 · Cholesterol hemisuccinate
  • NA · Sodium ion
  • CL · Chloride ion

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