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Ligand · XRX

XRX · 3-(dimethylamino)butyl dimethylcarbamate

XRX, 3-(dimethylamino)butyl dimethylcarbamate (C9 H20 N2 O2, 188.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
XRX
Formula
C9 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XRX in 2 structures; the first of them:

  • 3ZDG · Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue… · XRX A301 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 4 more
  • 3ZDG · Crystal structure of ls-achbp complexed with carbamoylcholine analogue… · XRX A301 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS187, CYS188, TYR192 and 4 more

Residues it binds most

TYR 40, CYS 40, TRP 40, LEU 40, ARG 40, MET 40, SER 40, THR 40 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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