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Ligand · HUP

HUP · Huperzine A

HUP, Huperzine A (C15 H18 N2 O, 242.3 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 ligands found with it.

Component
HUP
Formula
C15 H18 N2 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

HUP in 6 structures; the first of them:

  • 1GPK · Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution · HUP A1540 · binds TRP84, TYR116, GLY117, GLY118, GLY119, TYR121, SER122, GLY123 and 9 more
  • 1VOT · Acetylcholinesterase (E.C. 3.1.1.7) complexed with huperzine a · HUP A999 · binds TRP84, TYR116, GLY117, GLY118, GLY119, TYR121, SER122, GLY123 and 11 more
  • 4EY5 · Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine… · HUP A604 · binds TRP86, TYR119, GLY120, GLY121, GLY122, TYR124, SER125, GLY126 and 10 more
  • 1GPK · Structure of acetylcholinesterase complex with (+)-huperzine a at 2.1A resolution · HUP A1540 · binds TRP84, TYR116, GLY117, GLY118, GLY119, TYR121, SER122, GLY123 and 9 more
  • 1VOT · Acetylcholinesterase (E.C. 3.1.1.7) complexed with huperzine a · HUP A999 · binds TRP84, TYR116, GLY117, GLY118, GLY119, TYR121, SER122, GLY123 and 11 more
  • 4EY5 · Crystal structure of recombinant human acetylcholinesterase in complex with (-)-huperzine… · HUP A604 · binds TRP86, TYR119, GLY120, GLY121, GLY122, TYR124, SER125, GLY126 and 10 more

Residues it binds most

GLY 8, TYR 8, PHE 8, SER 8, GLU 8, HIS 8, LEU 8, TRP 8, ALA 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • FUC · alpha-L-fucopyranose
  • NO3 · Nitrate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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