GL1X · GenesisL1 explorer

Ligand · 655

655 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate

655, 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate (C19 H20 N4 O2, 336.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
655
Formula
C19 H20 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

655 in 4 structures; the first of them:

  • 1O2I · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 655 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1O3P · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · 655 B251 · binds VAL41, HIS57, CYS58, ASP189, SER190, CYS191, GLN192, GLY193 and 8 more
  • 1O2I · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 655 A246 · binds PHE41, CYS42, HIS57, CYS58, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1O3P · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · 655 B251 · binds VAL41, HIS57, CYS58, ASP189, SER190, CYS191, GLN192, GLY193 and 8 more

Residues it binds most

GLY 4, CYS 4, SER 4, VAL 4, ASP 4, GLN 4, HIS 4, TRP 4, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • CIT · Citric acid

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