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Ligand · 14W

14W · N-(3-(aminomethyl)benzyl)acetamidine

14W, N-(3-(aminomethyl)benzyl)acetamidine (C10 H15 N3, 177.2 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…

Component
14W
Formula
C10 H15 N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

14W in 6 structures; the first of them:

  • 1FOI · Bovine endothelial nitric oxide synthase heme domain complexed with 1400W(H4B-free) · 14W A810 · binds GLN249, PRO336, VAL338, GLY357, TRP358, TYR359, MET360, GLU363
  • 1QW5 · Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. · 14W A902 · binds GLN257, PRO344, VAL346, GLY365, TRP366, TYR367, GLU371
  • 1QWC · Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. · 14W A902 · binds GLN478, PRO565, VAL567, GLY586, TRP587, GLU592, TRP678
  • 1FOI · Bovine endothelial nitric oxide synthase heme domain complexed with 1400W(H4B-free) · 14W A810 · binds GLN249, PRO336, VAL338, GLY357, TRP358, TYR359, MET360, GLU363
  • 1QW5 · Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. · 14W A902 · binds GLN257, PRO344, VAL346, GLY365, TRP366, TYR367, GLU371
  • 1QWC · Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. · 14W A902 · binds GLN478, PRO565, VAL567, GLY586, TRP587, GLU592, TRP678

Residues it binds most

TRP 10, GLN 10, GLU 10, GLY 10, PRO 10, VAL 10, TYR 8, MET 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • ACT · Acetate ion
  • CAC · Cacodylate ion
  • GOL · Glycerol

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