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Ligand · 480

480 · (2S)-2,3-dihydroxypropyl octanoate

480, (2S)-2,3-dihydroxypropyl octanoate (C11 H22 O4, 218.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
480
Formula
C11 H22 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

480 in 3 structures; the first of them:

  • 4Y13 · SdiA in complex with octanoyl-rac-glycerol · 480 A303 · binds SER43, CYS45, PHE59, TYR63, TRP67, VAL68, TYR71, ASP80 and 6 more
  • 7BU6 · Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 · 480 A1412 · binds TRP1057, MET1061, MET1065, ILE1068, ILE1118, VAL1119, ARG1357, VAL1360 and 2 more
  • 7BU6 · Structure of human BETA1 adrenergic receptor bound to norepinephrine and nanobody 6B9 · 480 A1412 · binds MET1061, ILE1068, VAL1119, ARG1357, VAL1360, PHE1361, TRP1364

Residues it binds most

VAL 3, TRP 3, PHE 3, ILE 2, MET 2, ARG 2, SER 1, TYR 1, ALA 1, ASP 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CLR · Cholesterol
  • E5E · Noradrenaline
  • NA · Sodium ion
  • GLC · alpha-D-glucopyranose
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PG4 · Tetraethylene glycol
  • GOL · Glycerol

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