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Ligand · X13

X13 · N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium

X13, N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium (C17 H38 N O2 S2 +1, 352.6 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…

Component
X13
Formula
C17 H38 N O2 S2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

X13 in 2 structures; the first of them:

  • 2WLS · Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13 · X13 A1543 · binds TYR72, TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202 and 8 more
  • 2WLS · Crystal structure of mus musculus acetylcholinesterase in complex with AMTS13 · X13 A1543 · binds TYR72, TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202 and 8 more

Residues it binds most

TYR 4, GLY 4, PHE 4, TRP 4, GLU 4, HIS 4, SER 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • P6G · Hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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