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Ligand · QR8

QR8 · (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S}, 13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione

QR8, (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S}, 13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione (C20 H36 O6, 372.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5…

Component
QR8
Formula
C20 H36 O6
Class
ligand
Structures
5
PDB entries
3

Binding sites

QR8 in 5 structures; the first of them:

  • 6ZHZ · OleP-oleandolide(DEO) in high salt crystallization conditions · QR8 A502 · binds PHE84, LEU94, LEU179, ILE243, ALA244, THR248, VAL291, PHE296 and 2 more
  • 6ZI2 · OleP-oleandolide(DEO) in low salt crystallization conditions · QR8 A502 · binds PHE84, LEU94, ILE243, ALA244, THR248, VAL291, PHE296, LEU396
  • 6ZHZ · Olep-OLEANDOLIDE(DEO) in high salt crystallization conditions · QR8 A502 · binds PHE84, LEU94, LEU179, ILE243, ALA244, THR248, VAL291, PHE296 and 2 more
  • 6ZI2 · Olep-OLEANDOLIDE(DEO) in low salt crystallization conditions · QR8 A502 · binds PHE84, LEU94, ILE243, ALA244, THR248, VAL291, PHE296, LEU396
  • 6ZI7 · Crystal structure of olep-OLEANDOLIDE(DEO) bound to L-rhamnose · QR8 A502 · binds PHE84, LEU94, MET178, LEU179, ILE243, ALA244, THR248, VAL291 and 3 more

Residues it binds most

LEU 34, PHE 34, ALA 36, THR 29, ILE 26, VAL 19, MET 12, SER 10, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • NA · Sodium ion
  • FMT · Formic acid
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • RAM · alpha-L-rhamnopyranose

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