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Ligand · S5D

S5D · (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine

S5D, (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine (C22 H27 N5, 361.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
S5D
Formula
C22 H27 N5
Class
ligand
Structures
6
PDB entries
3

Binding sites

S5D in 6 structures; the first of them:

  • 4CTQ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S5D A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4CTY · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · S5D A800 · binds VAL106, ARG185, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4UGG · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · S5D A904 · binds ARG65, HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more
  • 4CTQ · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S5D A800 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4CTY · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · S5D A800 · binds VAL106, ARG185, GLN249, PRO336, VAL338, PHE355, SER356, GLY357 and 7 more
  • 4UGG · Structure of bacillus subtilis nitric oxide synthase in complex with… · S5D A904 · binds ARG65, HIS128, GLN129, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more

Residues it binds most

TRP 10, TYR 10, ARG 10, MET 10, VAL 8, GLN 10, GLU 10, GLY 10, PHE 10, PRO 10 (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
  • CL · Chloride ion

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