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Ligand · HBP

HBP · 1,7-heptylene-bis-N,N'-syn-2-pyridiniumaldoxime

HBP, 1,7-heptylene-bis-N,N'-syn-2-pyridiniumaldoxime (C19 H26 N4 O2 +2, 342.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
HBP
Formula
C19 H26 N4 O2 +2
Class
ligand
Structures
8
PDB entries
4

Binding sites

HBP in 8 structures; the first of them:

  • 2GYV · Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7 · HBP A1409 · binds TYR72, ASP74, TRP86, TYR124, GLU285, TRP286, PHE297, TYR337 and 3 more
  • 2JF0 · Mus musculus acetylcholinesterase in complex with tabun and Ortho-7 · HBP A1544 · binds TYR72, ASP74, TRP86, TYR124, SUN203, GLU285, TRP286, TYR337 and 3 more
  • 2WU4 · Crystal structure of mouse acetylcholinesterase in complex with fenamiphos and ortho-7 · HBP A1544 · binds TYR72, ASP74, TRP86, TYR124, SXE203, GLU285, TRP286, ILE294 and 5 more
  • 5BWC · Acetylcholinesterase (E.C. 3.1.1.7) from torpedo californica in complex with the… · HBP A603 · binds TYR70, TRP84, GLY118, GLY119, TYR121, GLU199, SER200, TRP279 and 7 more
  • 2GYV · Crystal structure of mus musculus acetylcholinesterase in complex with ortho-7 · HBP A1409 · binds TYR72, ASP74, TRP86, TYR124, GLU285, TRP286, PHE297, TYR337 and 3 more
  • 2JF0 · Mus musculus acetylcholinesterase in complex with tabun and ortho-7 · HBP A1544 · binds TYR72, ASP74, TRP86, TYR124, SUN203, GLU285, TRP286, TYR337 and 3 more
  • 2WU4 · Crystal structure of mouse acetylcholinesterase in complex with fenamiphos and ortho-7 · HBP A1544 · binds TYR72, ASP74, TRP86, TYR124, SXE203, GLU285, TRP286, ILE294 and 5 more
  • 5BWC · Acetylcholinesterase (E.C. 3.1.1.7) from torpedo californica in complex with the… · HBP A603 · binds TYR70, TRP84, GLY118, GLY119, TYR121, GLU199, SER200, TRP279 and 7 more

Residues it binds most

TYR 14, TRP 14, PHE 14, GLU 14, HIS 14, ASP 10, GLY 2, ILE 6, SUN 4, SXE 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • P6G · Hexaethylene glycol
  • P3G · 3,6,9,12,15-pentaoxaheptadecane
  • CO3 · Carbonate ion

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