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Ligand · 4V4

4V4 · N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine

4V4, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine (C18 H26 N4, 298.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
4V4
Formula
C18 H26 N4
Class
ligand
Structures
6
PDB entries
3

Binding sites

4V4 in 6 structures; the first of them:

  • 4UGH · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · 4V4 A1367 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more
  • 4UGZ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 4V4 A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586 and 6 more
  • 4UH7 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 4V4 A800 · binds VAL106, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 4UGH · Structure of bacillus subtilis nitric oxide synthase in complex with… · 4V4 A1367 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more
  • 4UGZ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 4V4 A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586 and 6 more
  • 4UH7 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 4V4 A800 · binds VAL106, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more

Residues it binds most

MET 10, TRP 10, TYR 10, GLU 12, ASN 10, GLY 10, PHE 10, PRO 10, SER 10, VAL 8 (residue and the binding sites it lines).

Found with

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

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