GL1X · GenesisL1 explorer

Ligand · 801

801 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate

801, 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate (C13 H11 N5 O, 253.3 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…

Component
801
Formula
C13 H11 N5 O
Class
ligand
Structures
8
PDB entries
4

Binding sites

801 in 8 structures; the first of them:

  • 1O31 · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more
  • 1O32 · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 801 A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 5 more
  • 1O33 · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1O34 · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1O31 · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 6 more
  • 1O32 · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 801 A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 5 more
  • 1O33 · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1O34 · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 801 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more

Residues it binds most

SER 8, GLY 8, CYS 8, ASP 8, GLN 8, TRP 8, VAL 8, HIS 6, TYR 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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