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Ligand · BCH

BCH · 2-(butyrylsulfanyl)-N,N,N-trimethylethanaminium

BCH, 2-(butyrylsulfanyl)-N,N,N-trimethylethanaminium (C9 H20 N O S +1, 190.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
BCH
Formula
C9 H20 N O S +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

BCH in 4 structures; the first of them:

  • 1P0P · Crystal structure of soman-aged human butyryl cholinesterase in complex with the… · BCH A604 · binds TRP82, GLY115, GLY116, TYR128, GLU197, SER198, ALA328, PHE329 and 4 more
  • 2HA7 · Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with… · BCH A910 · binds TYR72, ASP74, TYR124, TRP286, TYR337, PHE338, TYR341
  • 1P0P · Crystal structure of soman-aged human butyryl cholinesterase in complex with the… · BCH A604 · binds TRP82, GLY115, GLY116, TYR128, GLU197, SER198, ALA328, PHE329 and 4 more
  • 2HA7 · Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with… · BCH A910 · binds TYR72, ASP74, TYR124, TRP286, TYR337, PHE338, TYR341

Residues it binds most

TYR 4, GLY 4, ASP 4, TRP 6, GLU 4, PHE 4, ALA 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • BUA · butanoic acid
  • ETM · 2-(trimethylammonium)ethyl thiol
  • VXA · Methylphosphonic acid ester group
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • P6G · Hexaethylene glycol

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