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Ligand · O6I

O6I · 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine

O6I, 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine (C12 H21 N3, 207.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
O6I
Formula
C12 H21 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

O6I in 2 structures; the first of them:

  • 7US8 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · O6I A803 · binds PRO570, VAL572, ASN574, PHE589, SER590, GLY591, TRP592, TYR593 and 2 more
  • 7US8 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · O6I A803 · binds PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593, GLU597

Residues it binds most

GLU 8, GLY 8, PHE 8, PRO 8, SER 8, TRP 8, TYR 8, VAL 8, MET 4, ASN 1 (residue and the binding sites it lines).

Found with

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

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