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Ligand · Q16

Q16 · 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

Q16, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine (C19 H27 N5 O2, 357.4 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding…

Component
Q16
Formula
C19 H27 N5 O2
Class
ligand
Structures
12
PDB entries
6

Binding sites

Q16 in 12 structures; the first of them:

  • 4C39 · Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3S… · Q16 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4C3A · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · Q16 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4CX0 · Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex… · Q16 A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, MET341, PHE355 and 9 more
  • 4CX6 · Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with… · Q16 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4D1P · Structure of human endothelial nitric oxide synthase heme domain IN COMPLEX WITH… · Q16 A800 · binds VAL104, PHE105, GLN247, PRO334, VAL336, PHE353, SER354, GLY355 and 7 more
  • 4UGF · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S… · Q16 A904 · binds ARG65, HIS128, GLN129, PRO216, ILE218, MET221, PHE235, ASN236 and 7 more
  • 4C39 · Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3S… · Q16 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4C3A · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · Q16 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4CX0 · Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex… · Q16 A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, MET341, PHE355 and 9 more
  • 4CX6 · Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with… · Q16 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4D1P · Structure of human endothelial nitric oxide synthase heme domain in complex with… · Q16 A800 · binds VAL104, PHE105, GLN247, PRO334, VAL336, PHE353, SER354, GLY355 and 7 more
  • 4UGF · Structure of bacillus subtilis nitric oxide synthase in complex with 6-((((3S… · Q16 A904 · binds ARG65, HIS128, GLN129, PRO216, ILE218, MET221, PHE235, ASN236 and 7 more

Residues it binds most

TRP 22, TYR 22, MET 22, VAL 20, PHE 22, GLN 22, GLU 22, GLY 22, PRO 22, SER 20 (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
  • GOL · Glycerol
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • POL · N-propanol

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