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Ligand · NWA

NWA · 4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium

NWA, 4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium (C8 H20 N O2 +1, 162.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
NWA
Formula
C8 H20 N O2 +1
Class
ligand
Structures
10
PDB entries
5

Binding sites

NWA in 10 structures; the first of them:

  • 2C5F · Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate… · NWA A1541 · binds TRP84, GLY117, GLY118, GLY119, TYR130, GLU199, SER200, ALA201 and 6 more
  • 2HA0 · Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium · NWA A709 · binds TRP86, GLY120, GLY121, GLY122, TYR133, GLU202, SER203, ALA204 and 7 more
  • 7RB5 · Room temperature structure of hAChE in complex with substrate analog 4K-TMA · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more
  • 7RB6 · Low temperature structure of hAChE in complex with substrate analog 4K-TMA · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more
  • 7RB7 · Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more
  • 2C5F · Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate… · NWA A1541 · binds TRP84, GLY117, GLY118, GLY119, TYR130, GLU199, SER200, ALA201 and 6 more
  • 2HA0 · Crystal structure of mouse acetylcholinesterase complexed with 4… · NWA A709 · binds TRP86, GLY120, GLY121, GLY122, TYR133, GLU202, SER203, ALA204 and 7 more
  • 7RB5 · Room temperature structure of hache in complex with substrate analog 4K-tma · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more
  • 7RB6 · Low temperature structure of hache in complex with substrate analog 4K-tma · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more
  • 7RB7 · Room temperature structure of hache in complex with substrate analog 4K-tma and MMB4 oxime · NWA A601 · binds TRP86, GLY120, GLY121, GLY122, GLU202, SER203, ALA204, TRP236 and 6 more

Residues it binds most

GLY 16, PHE 16, TRP 16, TYR 16, ALA 16, GLU 16, HIS 16, SER 16 (residue and the binding sites it lines).

Found with

  • CHH · N,N,N-trimethyl-4-oxopentan-1-aminium
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • 3VI · 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}
  • FUC · alpha-L-fucopyranose
  • IOD · Iodide ion
  • NO3 · Nitrate ion
  • GOL · Glycerol
  • P6G · Hexaethylene glycol
  • PGE · Triethylene glycol

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