Ligand · CHH

CHH · N,N,N-trimethyl-4-oxopentan-1-aminium

CHH, N,N,N-trimethyl-4-oxopentan-1-aminium (C8 H18 N O +1, 144.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component: CHH
Formula: C8 H18 N O +1
Class: ligand
Structures: 6
PDB entries: 3

Binding sites

CHH in 6 structures; the first of them:

2C5F · Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate… · CHH A1542 · binds TYR70, TYR121, TRP279, PHE331, TYR334
2HA0 · Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium · CHH A710 · binds TYR72, ASP74, TYR124, TRP286, PHE297, TYR337, PHE338, TYR341
2VJC · Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate… · CHH A1538 · binds TYR70, ASP72, TYR121, TRP279, PHE330, TYR334
2C5F · Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate… · CHH A1542 · binds TYR70, TYR121, TRP279, PHE331, TYR334
2HA0 · Crystal structure of mouse acetylcholinesterase complexed with 4… · CHH A710 · binds TYR72, ASP74, TYR124, TRP286, PHE297, TYR337, PHE338, TYR341
2VJC · Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate… · CHH A1538 · binds TYR70, ASP72, TYR121, TRP279, PHE330, TYR334

Residues it binds most

TYR 10, PHE 10, TRP 10, ASP 6 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
NWA · 4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium
PGE · Triethylene glycol
CCD · (4R)-4-hydroxy-N,N,N-trimethylpentan-1-aminium
FUC · alpha-L-fucopyranose
CL · Chloride ion
IOD · Iodide ion
P6G · Hexaethylene glycol

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