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Ligand · OXE

OXE · Ortho-xylene

OXE, Ortho-xylene (C8 H10, 106.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
OXE
Formula
C8 H10
Class
ligand
Structures
5
PDB entries
5

Binding sites

OXE in 5 structures; the first of them:

  • 5NEY · Discovery, crystal structures and atomic force microscopy study of thioether ligated… · OXE E202 · binds ASN70, CYS1, DTR2, DLY8, CYS11
  • 5NF0 · Discovery, crystal structures and atomic force microscopy study of thioether ligated… · OXE E101 · binds VAL69, ASN70, DCY1, TRP2, DCY11
  • 7L3C · T4 lysozyme L99A - O-xylene - rt · OXE A204 · binds LEU84, VAL87, TYR88, ALA99, MET102, VAL103, VAL111, LEU118 and 2 more
  • 7ZKR · Human gabarap in complex with stapled peptide PEN3-ortho · OXE B102 · binds ARG28, PRO52, LE13, TYR4, CYS8
  • 7ZL7 · Human gabarap in complex with stapled peptide PEN8-ortho · OXE D101 · binds CYS3, TRP6, LE18, TYR25, LEU50

Residues it binds most

DCY 3, TRP 5, CYS 4, LEU 3, TYR 4, VAL 2, LE1 3, ARG 2, ASN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • NH2 · Amino group
  • CA · Calcium ion
  • ZDC · 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
  • ACE · Acetyl group
  • NA · Sodium ion
  • PO4 · Phosphate ion
  • BME · Beta-mercaptoethanol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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