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Ligand · CR4

CR4 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}benzenolate

CR4, 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}benzenolate (C14 H12 N4 O, 252.3 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, the residues it…

Component
CR4
Formula
C14 H12 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

CR4 in 4 structures; the first of them:

  • 1O2S · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · CR4 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1P57 · Extracellular domain of human hepsin · CR4 B346 · binds HIS57, ASP189, ALA190, CYS191, GLN192, SER195, VAL213, SER214 and 5 more
  • 1O2S · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · CR4 A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1P57 · Extracellular domain of human hepsin · CR4 B346 · binds HIS57, ASP189, ALA190, CYS191, GLN192, SER195, VAL213, SER214 and 5 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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