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Ligand · O5X

O5X · 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine

O5X, 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine (C12 H17 N3, 203.3 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…

Component
O5X
Formula
C12 H17 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

O5X in 2 structures; the first of them:

  • 7US7 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · O5X A803 · binds PRO570, VAL572, ASN574, MET575, PHE589, SER590, GLY591, TRP592 and 4 more
  • 7US7 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · O5X A803 · binds PRO570, VAL572, ASN574, MET575, PHE589, SER590, GLY591, TRP592 and 4 more

Residues it binds most

MET 8, TYR 8, ASN 8, GLU 8, GLY 8, PHE 8, PRO 8, SER 8, TRP 8, 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
  • GOL · Glycerol

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