GL1X · GenesisL1 explorer

MolNFT v1 · #164900 · protein

Mus musculus acetylcholinesterase in complex with N-(2-(diethylamino) ethyl)-1-(4-(TRIFLUOROMETHYL)PHENYL)METHANESULFONAMIDE

6TD2: “Mus musculus acetylcholinesterase in complex with N-(2-(diethylamino)…”. X-ray diffraction, 3 ligands (N2K, ETE, NAG). MolNFT v1 #164900 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TD2
Type
protein
Length
1,068 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P21836
Ligands
N2K, ETE, NAG

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein536—P21836
B—protein532—P21836

Ligands and binding sites

  • N2K · ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl) phenyl]methanesulfonamide · ligand · 2 copies · chains A, B
  • ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · 5 copies · chains A, B
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6TD2 · Mus musculus Acetylcholinesterase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21836 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P21836) · a predicted model of the same protein · chain B against A, TM-score 1.00

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