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Ligand · 71S

71S · 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine

71S, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine (C22 H28 N6, 376.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
71S
Formula
C22 H28 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

71S in 4 structures; the first of them:

  • 4CTX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 71S A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4CU1 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 71S A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more
  • 4CTX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 71S A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4CU1 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 71S A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more

Residues it binds most

TRP 8, TYR 8, ARG 8, MET 8, SER 8, VAL 8, GLN 8, GLU 8, GLY 8, LEU 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
  • GOL · Glycerol

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